C30H30N2O8 URIDINE, 5'-ON- [BIS (4-methoxypyphyl) Phenylmethyl] - (9CI, ACI)
KEY PELIKSYON PROPERTIES | Bili | Kahimtang |
Gibug-aton sa molekula | 546.57 | - |
Pagtunaw sa punto (eksperimento) | 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 | Kadaghanan sa acidic temps: 25 ° C |
Canonical Smile O = C1C = CN (C (= o) N1) C2OC (CC = C (OC) C = C. OC) C = C5) C (OC) C = C5) C (OC) C
Isomeric smile c (oc [c @ h] 1o [c @ h) (cc) c = cc) c = C.
Inchi
Inchi = 1S / C30H30N2O8 / C1-37-22-12-12-12-8-20) 30 (38-28-14-23) (35-24-21) (35-24) 35) 35) 35) 35) 35) 35) 35) 35) 35) 35) 35) 35) 35) 35) 35) 35) 35) 35) 35) 35) 35) 35) 35) 35) 35) 35) 35) 35)
17-16-25 (33) 31-29 (32) 36 / H3-17,24,26-28,34-35h, 18,,36,,36,,,36)
Yawe sa inchi
PCFSNQYXOCUHM-YULOOOIDQLSA-N
4 ubang mga ngalan alang sa kini nga sangkap
5'-O- BIS (4-methoxypylementl) Phenylmethyl] UriDine (ACI); Si Uridine, 5'-O-- [α, α-bis (P-methoxyphyphypenyl) Benzyl] - (7CI); 5'-Dimethoxytrityl nga uridine; 5'-o- (4,4'-dimeethoxytrityl) uridine
Mga kabtangan nga magamit |
Sa teserminal |
Sa teserminal
Kabtangan | Bili | Kahimtang | Tinubdan | |
TELTING POINT | 122-123 ° C | (1) cas | ||
TELTING POINT | 111-112 ° C | Solvent: | Ethyl acetate | (2) cas |
TELTING POINT | Tan-awa ang hingpit nga teksto | (3) cas |
(1) Zekri, Negar; Bulletin sa Chemical Society of Ethiopia, (2010), 24 (2), 299-304, CAPLUS
(2) Patil, Proranand Ramrao; Journal sa Carbohydrate Chemistry, (2008), 27 (5), 279-293, Caplus
(3) Khalafi-Nezhad, Ali; Mga sulat sa Tetredron, (2004), 45 (36), 6737-6739, CAPLUS
Magamit ang Spectra
1h nmr
13C NMR
Misa
Mga kabtangan nga magamit |
Biyikolohiya |
Kimikal |
Density |
Lipinski |
May kalabutan sa istruktura |
Biyikolohiya
Kabtangan | Bili | Kahimtang | Tinubdan |
Factor sa Bioconcentration | 904 | Ph 1; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 904 | Ph 2; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 904 | Ph 3; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 904 | Ph 4; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 904 | Ph 5; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 904 | Ph 6; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 900 | Ph 7; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 861 | Ph 8; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 602 | Ph 9; Tats: 25 ° C | (1) ACD |
Kabtangan | Bili | Kahimtang | Tinubdan |
Factor sa Bioconcentration | 156 | Ph 10; Tats: 25 ° C | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
Kimikal
Kabtangan | Bili | Kahimtang | Tinubdan |
Lang | 4550 | Ph 1; Tats: 25 ° C | (1) ACD |
Lang | 4550 | Ph 2; Tats: 25 ° C | (1) ACD |
Lang | 4550 | Ph 3; Tats: 25 ° C | (1) ACD |
Lang | 4550 | Ph 4; Tats: 25 ° C | (1) ACD |
Lang | 4550 | Ph 5; Tats: 25 ° C | (1) ACD |
Lang | 4540 | Ph 6; Tats: 25 ° C | (1) ACD |
Lang | 4520 | Ph 7; Tats: 25 ° C | (1) ACD |
Lang | 4330 | Ph 8; Tats: 25 ° C | (1) ACD |
Lang | 3030 | Ph 9; Tats: 25 ° C | (1) ACD |
Lang | 785 | Ph 10; Tats: 25 ° C | (1) ACD |
troso | 4.19 | Ph 1; Tats: 25 ° C | (1) ACD |
troso | 4.19 | Ph 2; Tats: 25 ° C | (1) ACD |
troso | 4.19 | Ph 3; Tats: 25 ° C | (1) ACD |
troso | 4.19 | Ph 4; Tats: 25 ° C | (1) ACD |
troso | 4.19 | Ph 5; Tats: 25 ° C | (1) ACD |
troso | 4.19 | Ph 6; Tats: 25 ° C | (1) ACD |
troso | 4.19 | Ph 7; Tats: 25 ° C | (1) ACD |
troso | 4.17 | Ph 8; Tats: 25 ° C | (1) ACD |
troso | 4.02 | Ph 9; Tats: 25 ° C | (1) ACD |
troso | 3.43 | Ph 10; Tats: 25 ° C | (1) ACD |
logP | 4.192 ± 0.628 | Tats: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 3.2 x 10-4 g / l | Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.2 x 10-4 g / l | Ph 1; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.2 x 10-4 g / l | Ph 2; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.2 x 10-4 g / l | Ph 3; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.2 x 10-4 g / l | Ph 4; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.2 x 10-4 g / l | Ph 5; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.2 x 10-4 g / l | Ph 6; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.2 x 10-4 g / l | Ph 7; Tats: 25 ° C | (1) ACD |
Kabtangan | Bili | Kahimtang | Tinubdan |
Mass Solubility | 3.3 x 10-4 g / l | Ph 8; Tats: 25 ° C | (1) ACD |
Mass Solubility | 4.8 x 10-4 g / l | Ph 9; Tats: 25 ° C | (1) ACD |
Mass Solubility | 1.9 x 10-3 g / l | Ph 10; Tats: 25 ° C | (1) ACD |
Mass Solubility | 3.2 x 10-4 g / l | Wala'y pulos nga tubig Ph 6.99; Tats: 25 ° C | (1) ACD |
Molar intrinsic solubility | 5.8 x 10-7 MOL / L | Tats: 25 ° C | (1) ACD |
Molar Solubility | 5.8 x 10-7 MOL / L | Ph 1; Tats: 25 ° C | (1) ACD |
Molar Solubility | 5.8 x 10-7 MOL / L | Ph 2; Tats: 25 ° C | (1) ACD |
Molar Solubility | 5.8 x 10-7 MOL / L | Ph 3; Tats: 25 ° C | (1) ACD |
Molar Solubility | 5.8 x 10-7 MOL / L | Ph 4; Tats: 25 ° C | (1) ACD |
Molar Solubility | 5.8 x 10-7 MOL / L | Ph 5; Tats: 25 ° C | (1) ACD |
Molar Solubility | 5.8 x 10-7 MOL / L | Ph 6; Tats: 25 ° C | (1) ACD |
Molar Solubility | 5.8 x 10-7 MOL / L | Ph 7; Tats: 25 ° C | (1) ACD |
Molar Solubility | 6.1 x 10-7 MOL / L | Ph 8; Tats: 25 ° C | (1) ACD |
Molar Solubility | 8.7 x 10-7 MOL / L | Ph 9; Tats: 25 ° C | (1) ACD |
Molar Solubility | 3.4 x 10-6 MOL / L | Ph 10; Tats: 25 ° C | (1) ACD |
Molar Solubility | 5.8 x 10-7 MOL / L | Wala'y pulos nga tubig Ph 6.99; Tats: 25 ° C | (1) ACD |
Gibug-aton sa molekula | 546.57 | ||
pka | 9.39 ± 0.10 | Kadaghanan sa acidic temps: 25 ° C | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
Density
Kabtangan | Bili | Kahimtang | Tinubdan |
Density | 1.343 ± 0.06 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar nga gidaghanon | 406.9 ± 3.0 cm3 / Mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
Lipinski
Kabtangan | Bili | Kahimtang | Tinubdan |
Gawasnon nga rotatable nga bugkos | 11 | (1) ACD | |
H Pagdawat | 10 | (1) ACD | |
H donor | 3 | (1) ACD | |
H Donor / Pagdawat Sum | 13 | (1) ACD | |
logP | 4.192 ± 0.628 | Tats: 25 ° C | (1) ACD |
Kabtangan | Bili | Kahimtang | Tinubdan |
Gibug-aton sa molekula | 546.57 |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
May kalabutan sa istruktura
Kabtangan | Bili | Kahimtang | Tinubdan |
Dapit sa Polar sa Polar | 127 A2 | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
Magamit ang Spectra
1h nmr
13C NMR