![C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5- (aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5- (aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI) Featured Image](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide.jpg)
C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5- (aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI)
| Pangunang Pisikal nga mga Kinaiya | Bili | kahimtang |
| Molekular nga Timbang | 601.69 | - |
| Boiling Point (Gitagna) | 914.2±65.0 °C | Press: 760 Torr |
| Densidad (Gitagna) | 1.276±0.06 g/cm3 | Temp: 20 °C; Press: 760 Torr |
| pKa (Gitagna) | 10.63±0.46 | Labing Acid nga Temp: 25 °C |
Canonical SMILES O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)NC(C(=O)NC4=CC=C(C=C4)CO)CCCNC(=O )N)C(C)C
Isomeric SMILES C(OC(N[C@H](C(N[C@H](C(NC1=CC=C(CO)C=C1)=O)CCCNC(N)=O)=O)[ C@H](C)C)=O)C2C=3C(C=4C2=CC=CC4)=CC=CC3
InChI
InChI=1S/C33H39N5O6/c1-20(2)29(38-33(43)44-19-27-25-10-5-3-8-23(25)24-9-4-6-11- 26(24)27)31(41)37-28(12-7-17-35- 32(34)42)30(40)36-22-15-13-21(18-39)14-16- 22/h3-6,8-11,13-16,20,27-29,39H,7,12,17-19H2,1-2H3,(H,36,40)(H,37,41)(H ,38,43)(H3,34,3
5,42)/t28-,29-/m0/s1
Yawe sa InChI
DALMAZHDNFCDRP-VMPREFPWSA-N
1 Ubang Ngalan alang niini nga Substansya
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]-L-ornithinamide (ACI)
Magamit ang spectra
1H NMR
13C NMR
| Mga kabtangan nga magamit |
| Biyolohikal |
| Kemikal |
| Densidad |
| Lipinski |
| May Kalabutan sa Istruktura |
| Thermal |
Biyolohikal
| Property | Bili | kahimtang | Tinubdan |
| Bioconcentration Factor | 809 | pH 1; Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 912 | pH 2; Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 923 | pH 3; Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 924 | pH 4; Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 924 | pH 5; Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 924 | pH 6; Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 924 | pH 7; Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 922 | pH 8; Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 903 | pH 9; Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 750 | pH 10; Temperatura: 25 °C | (1) ACD |
(1) Kalkulado gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kemikal
| Property | Bili | kahimtang | Tinubdan |
| Si Koc | 4040 | pH 1; Temperatura: 25 °C | (1) ACD |
| Si Koc | 4550 | pH 2; Temperatura: 25 °C | (1) ACD |
| Si Koc | 4610 | pH 3; Temperatura: 25 °C | (1) ACD |
| Si Koc | 4620 | pH 4; Temperatura: 25 °C | (1) ACD |
| Si Koc | 4620 | pH 5; Temperatura: 25 °C | (1) ACD |
| Si Koc | 4620 | pH 6; Temperatura: 25 °C | (1) ACD |
| Property | Bili | kahimtang | Tinubdan |
| Si Koc | 4620 | pH 7; Temperatura: 25 °C | (1) ACD |
| Si Koc | 4610 | pH 8; Temperatura: 25 °C | (1) ACD |
| Si Koc | 4510 | pH 9; Temperatura: 25 °C | (1) ACD |
| Si Koc | 3740 | pH 10; Temperatura: 25 °C | (1) ACD |
| logD | 4.15 | pH 1; Temperatura: 25 °C | (1) ACD |
| logD | 4.20 | pH 2; Temperatura: 25 °C | (1) ACD |
| logD | 4.20 | pH 3; Temperatura: 25 °C | (1) ACD |
| logD | 4.20 | pH 4; Temperatura: 25 °C | (1) ACD |
| logD | 4.21 | pH 5; Temperatura: 25 °C | (1) ACD |
| logD | 4.21 | pH 6; Temperatura: 25 °C | (1) ACD |
| logD | 4.20 | pH 7; Temperatura: 25 °C | (1) ACD |
| logD | 4.20 | pH 8; Temperatura: 25 °C | (1) ACD |
| logD | 4.19 | pH 9; Temperatura: 25 °C | (1) ACD |
| logD | 4.11 | pH 10; Temperatura: 25 °C | (1) ACD |
| logP | 4.206±0.767 | Temperatura: 25 °C | (1) ACD |
| Mass Intrinsic Solubility | 1.7 x 10-4 g/L | Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 2.0 x 10-4 g/L | pH 1; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 1.7 x 10-4 g/L | pH 2; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 1.7 x 10-4 g/L | pH 3; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 1.7 x 10-4 g/L | pH 4; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 1.7 x 10-4 g/L | pH 5; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 1.7 x 10-4 g/L | pH 6; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 1.7 x 10-4 g/L | pH 7; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 1.7 x 10-4 g/L | pH 8; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 1.7 x 10-4 g/L | pH 9; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 2.1 x 10-4 g/L | pH 10; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 1.7 x 10-4 g/L | Walay Buffered nga Tubig pH 7.00; Temperatura: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 2.9 x 10-7 mol/L | Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 3.3 x 10-7 mol/L | pH 1; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 2.9 x 10-7 mol/L | pH 2; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 2.9 x 10-7 mol/L | pH 3; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 2.9 x 10-7 mol/L | pH 4; Temperatura: 25 °C | (1) ACD |
| Property | Bili | kahimtang | Tinubdan |
| Pagkamatunaw sa Molar | 2.9 x 10-7 mol/L | pH 5; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 2.9 x 10-7 mol/L | pH 6; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 2.9 x 10-7 mol/L | pH 7; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 2.9 x 10-7 mol/L | pH 8; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 2.9 x 10-7 mol/L | pH 9; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 3.5 x 10-7 mol/L | pH 10; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 2.9 x 10-7 mol/L | Walay Buffered nga Tubig pH 7.00; Temperatura: 25 °C | (1) ACD |
| Molekular nga Timbang | 601.69 | ||
| pKa | 10.63±0.46 | Labing Acid nga Temp: 25 °C | (1) ACD |
| pKa | 0.13±0.50 | Labing sukaranan nga Temp: 25 °C | (1) ACD |
| Presyon sa singaw | 0 Torr | Temperatura: 25 °C | (1) ACD |
(1) Kalkulado gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Densidad
| Property | Bili | kahimtang | Tinubdan |
| Densidad | 1.276±0.06 g/cm3 | Temp: 20 °C; Press: 760 Torr | (1) ACD |
| Volume sa Molar | 471.2±3.0 cm3/mol | Temp: 20 °C; Press: 760 Torr | (1) ACD |
(1) Kalkulado gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Property | Bili | kahimtang | Tinubdan |
| Libre nga Rotatable Bonds | 15 | (1) ACD | |
| H Mga tigdawat | 11 | (1) ACD | |
| H Mga Donor | 7 | (1) ACD | |
| H Donor/Acceptor Sum | 18 | (1) ACD | |
| logP | 4.206±0.767 | Temperatura: 25 °C | (1) ACD |
| Molekular nga Timbang | 601.69 |
(1) Kalkulado gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
May Kalabutan sa Istruktura
| Property | Bili | kahimtang | Tinubdan |
| Polar Surface Area | 172 A2 | (1) ACD | |
(1) Kalkulado gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Thermal
| Property | Bili | kahimtang | Tinubdan |
| Nagbukal nga Punto | 914.2±65.0 °C | Press: 760 Torr | (1) ACD |
| Enthalpy of Vaporization | 139.25±3.0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flash Point | 506.7±34.3 °C | (1) ACD |
(1) Kalkulado gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Magamit ang spectra
1H NMR
13C NMR
![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo-300x300.jpg)
![C50H60N5O10P Cytidine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methoxyethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl) phosphoramidi] (ACI)](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine-300x300.png)
![C53H66N7O8PSi CAS NO.: 104992-55-4 Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O- [(1,1-dimethylethyl)dimethylsilyl]-, 3′ – [2-cyanoethyl N,N-bis(1- methylethyl)...](https://cdn.globalso.com/nvchem/C53H66N7O8PSi-300x300.png)
![C20H31NO5 Heptanoic acid, 3- hydroxy-5-methyl-4-[[(phenylmethoxy)carbonyl] amino]-, 1,1-dimethylethyl ester, [3R-(3R*,4S*,5S*)]- (9CI) H301](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid-300x300.jpg)
