![C30H30N2O8 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C30H30N2O8 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]- (9CI, ACI)
| Pangunang Pisikal nga mga Kinaiya | Bili | kahimtang |
| Molekular nga Timbang | 546.57 | - |
| Punto sa Pagkatunaw (Eksperimental) | 111-112 °C | Solvent: Ethyl acetate |
| Densidad (Gitagna) | 1.343±0.06 g/cm3 | Temp: 20 °C; Press: 760 Torr |
| pKa (Gitagna) | 9.39±0.10 | Labing Acid nga Temp: 25 °C |
Canonical SMILES O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C= C5)C(O)C2O
Isomeric SMILES C(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C(=O)NC(=O)C=C2)(C3= CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H30N2O8/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7- 19,21-10-14-23(38-2)15-11-21)39-18-24-26(34)27(35)28(40-24)32-
17-16-25(33)31-29(32)36/h3-17,24,26-28,34-35H,18H2,1-2H3,(H,31,33,36)/t24-,26 -,27-,28-/m1/s1
Yawe sa InChI
PCFSNQYXXACUHM-YULOIDQLSA-N
4 Ubang Ngalan alang niini nga Substansya
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]uridine (ACI); Uridine, 5′-O-[α,α-bis(p-methoxyphenyl)benzyl]- (7CI); 5′-Dimethoxytriyl uridine; 5′-O-(4,4′-Dimethoxytriyl)uridine
| Mga kabtangan nga magamit |
| Thermal |
Thermal
| Property | Bili | kahimtang | Tinubdan | |
| Punto sa Pagkatunaw | 122-123 °C | (1) CAS | ||
| Punto sa Pagkatunaw | 111-112 °C | Solvent: | Ethyl acetate | (2) CAS |
| Punto sa Pagkatunaw | Tan-awa ang Tibuok Teksto | (3) CAS | ||
(1) Zekri, Negar; Bulletin sa Chemical Society of Ethiopia, (2010), 24(2), 299-304, CAplus
(2) Patil, Premanand Ramrao; Journal of Carbohydrate Chemistry, (2008), 27(5), 279-293, CAplus
(3) Khalafi-Nezhad, Ali; Mga Sulat sa Tetrahedron, (2004), 45(36), 6737-6739, CAplus
Magamit ang spectra
1H NMR
13C NMR
Misa
| Mga kabtangan nga magamit |
| Biyolohikal |
| Kemikal |
| Densidad |
| Lipinski |
| May Kalabutan sa Istruktura |
Biyolohikal
| Property | Bili | kahimtang | Tinubdan |
| Bioconcentration Factor | 904 | pH 1; Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 904 | pH 2; Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 904 | pH 3; Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 904 | pH 4; Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 904 | pH 5; Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 904 | pH 6; Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 900 | pH 7; Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 861 | pH 8; Temperatura: 25 °C | (1) ACD |
| Bioconcentration Factor | 602 | pH 9; Temperatura: 25 °C | (1) ACD |
| Property | Bili | kahimtang | Tinubdan |
| Bioconcentration Factor | 156 | 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 | 4550 | pH 1; Temperatura: 25 °C | (1) ACD |
| Si Koc | 4550 | pH 2; Temperatura: 25 °C | (1) ACD |
| Si Koc | 4550 | pH 3; Temperatura: 25 °C | (1) ACD |
| Si Koc | 4550 | pH 4; Temperatura: 25 °C | (1) ACD |
| Si Koc | 4550 | pH 5; Temperatura: 25 °C | (1) ACD |
| Si Koc | 4540 | pH 6; Temperatura: 25 °C | (1) ACD |
| Si Koc | 4520 | pH 7; Temperatura: 25 °C | (1) ACD |
| Si Koc | 4330 | pH 8; Temperatura: 25 °C | (1) ACD |
| Si Koc | 3030 | pH 9; Temperatura: 25 °C | (1) ACD |
| Si Koc | 785 | pH 10; Temperatura: 25 °C | (1) ACD |
| logD | 4.19 | pH 1; Temperatura: 25 °C | (1) ACD |
| logD | 4.19 | pH 2; Temperatura: 25 °C | (1) ACD |
| logD | 4.19 | pH 3; Temperatura: 25 °C | (1) ACD |
| logD | 4.19 | pH 4; Temperatura: 25 °C | (1) ACD |
| logD | 4.19 | pH 5; Temperatura: 25 °C | (1) ACD |
| logD | 4.19 | pH 6; Temperatura: 25 °C | (1) ACD |
| logD | 4.19 | pH 7; Temperatura: 25 °C | (1) ACD |
| logD | 4.17 | pH 8; Temperatura: 25 °C | (1) ACD |
| logD | 4.02 | pH 9; Temperatura: 25 °C | (1) ACD |
| logD | 3.43 | pH 10; Temperatura: 25 °C | (1) ACD |
| logP | 4.192±0.628 | Temperatura: 25 °C | (1) ACD |
| Mass Intrinsic Solubility | 3.2 x 10-4 g/L | Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 3.2 x 10-4 g/L | pH 1; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 3.2 x 10-4 g/L | pH 2; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 3.2 x 10-4 g/L | pH 3; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 3.2 x 10-4 g/L | pH 4; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 3.2 x 10-4 g/L | pH 5; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 3.2 x 10-4 g/L | pH 6; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 3.2 x 10-4 g/L | pH 7; Temperatura: 25 °C | (1) ACD |
| Property | Bili | kahimtang | Tinubdan |
| Mass Solubility | 3.3 x 10-4 g/L | pH 8; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 4.8 x 10-4 g/L | pH 9; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 1.9 x 10-3 g/L | pH 10; Temperatura: 25 °C | (1) ACD |
| Mass Solubility | 3.2 x 10-4 g/L | Walay Buffered nga Tubig pH 6.99; Temperatura: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 5.8 x 10-7 mol/L | Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 5.8 x 10-7 mol/L | pH 1; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 5.8 x 10-7 mol/L | pH 2; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 5.8 x 10-7 mol/L | pH 3; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 5.8 x 10-7 mol/L | pH 4; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 5.8 x 10-7 mol/L | pH 5; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 5.8 x 10-7 mol/L | pH 6; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 5.8 x 10-7 mol/L | pH 7; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 6.1 x 10-7 mol/L | pH 8; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 8.7 x 10-7 mol/L | pH 9; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 3.4 x 10-6 mol/L | pH 10; Temperatura: 25 °C | (1) ACD |
| Pagkamatunaw sa Molar | 5.8 x 10-7 mol/L | Walay Buffered nga Tubig pH 6.99; Temperatura: 25 °C | (1) ACD |
| Molekular nga Timbang | 546.57 | ||
| pKa | 9.39±0.10 | Labing Acid nga Temp: 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 | 1.343±0.06 g/cm3 | Temp: 20 °C; Press: 760 Torr | (1) ACD |
| Volume sa Molar | 406.9±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 | 11 | (1) ACD | |
| H Mga tigdawat | 10 | (1) ACD | |
| H Mga Donor | 3 | (1) ACD | |
| H Donor/Acceptor Sum | 13 | (1) ACD | |
| logP | 4.192±0.628 | Temperatura: 25 °C | (1) ACD |
| Property | Bili | kahimtang | Tinubdan |
| Molekular nga Timbang | 546.57 | ||
(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 | 127 A2 | (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
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