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C31h32n2o8 uridine, 5'-o- [bis (IV-metoxyphen) phenylmethyl] -2'-o-methyl- (9c ego, aci)
| Key physica proprietatibus | Valor | Conditio |
| Pondus | 560.60 | - |
| Density (praedicta) | 1.35 ± 0.1 G / CM3 | Temp: XX ° C; Press: DCCLX Torr |
| Pka (praedicta) | 9.39 ± 0.10 | Most Acidic Temp: XXV ° 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)C2OC
Isomerici risum risum dat C (O [c @ h] 1o [C @ h] ([c @] C3 = c (c = c (c = c (c ^ = c (c = c (c = c (c ^ = c (c = c5) c = c (c ^ = c (c = c (c ^ = c (c ^ = c (c ^ = c (c = c (c = c (c = c (c ^ = c (c = c (c ^ = c (c ^ = c (c ^ = c (c ^ = c (c ^ = c (c = c (c ^ = c (c ^ = c (c = c (c ^ = c (c = c (c ^ = c (c ^ = c (c ^ = c (= c5 c ^ =) C. = c ^ c ^ = c (= c ^ c ^ = c (= c5 c ^ = (= c4 c ^ c (= c5 c.
INCHI
Inchi = 1s / C31H32N2O8 / C1-37-23-13-9-21 (10-14-23) XXXI (20-7-5-4-6-8-20,22-11-11-15-24 (38-2) 16-12-22) 40-19-25-27 (XXXV) XXVIII (39-3) XXIX (41-25)
33-18-17-26 (XXXIV) 32-30 (XXXIII) XXXVI / H4-18,25,27-29,35H, 19h2,1-3H3 (H, 32,34,36) / T25-, 27-, 28-, 29- / M1 / S1
Key Inchi
Mfdhavfjdsrpkc, yxinzvnlsa, n
II aliis nominibus hanc substantiam
5'-o- [bis (IV-metoxyphen) phenylmethyl] -2'-o-methyluridine (aci); 5'- (4,4'-DimethoxyyTrityl) -2'-O-Methyluridine
Spectra praesto
1h NMR
Missa
| Proprietatibus praesto |
| Biological |
| Proiectus |
| Densitas |
| Lipinski |
| Structuram related |
Biological
| Res | Valor | Conditio | Fons |
| Bioconcentration factor | MCCXL | PH I; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MCCXL | PH II; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MCCXL | PH III; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MCCXL | PH IV; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MCCXL | PH V; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MCCXL | Ph VI; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MCCXXX | PH VII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | MCXC | PH VIII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | DCCCLXI | PH IX; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | CCXXXVIII | PH X; Temp: XXV ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Proiectus
| Res | Valor | Conditio | Fons |
| Koc | (V) DCXC | PH I; Temp: XXV ° C | (I) ACD |
| Koc | (V) DCXC | PH II; Temp: XXV ° C | (I) ACD |
| Koc | (V) DCXC | PH III; Temp: XXV ° C | (I) ACD |
| Koc | (V) DCXC | PH IV; Temp: XXV ° C | (I) ACD |
| Koc | (V) DCXC | PH V; Temp: XXV ° C | (I) ACD |
| Koc | (V) DCXC | Ph VI; Temp: XXV ° C | (I) ACD |
| Koc | (V) DCLXX | PH VII; Temp: XXV ° C | (I) ACD |
| Koc | (V) CDL | PH VIII; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Koc | MMMCMLX | PH IX; Temp: XXV ° C | (I) ACD |
| Koc | MC | PH X; Temp: XXV ° C | (I) ACD |
| logd | 4.37 | PH I; Temp: XXV ° C | (I) ACD |
| logd | 4.37 | PH II; Temp: XXV ° C | (I) ACD |
| logd | 4.37 | PH III; Temp: XXV ° C | (I) ACD |
| logd | 4.37 | PH IV; Temp: XXV ° C | (I) ACD |
| logd | 4.37 | PH V; Temp: XXV ° C | (I) ACD |
| logd | 4.37 | Ph VI; Temp: XXV ° C | (I) ACD |
| logd | 4.37 | PH VII; Temp: XXV ° C | (I) ACD |
| logd | 4.35 | PH VIII; Temp: XXV ° C | (I) ACD |
| logd | 4.21 | PH IX; Temp: XXV ° C | (I) ACD |
| logd | 3.66 | PH X; Temp: XXV ° C | (I) ACD |
| logp | 4.372 ± 0.582 | Temp: XXV ° C | (I) ACD |
| Missam intrinsecam solubility | 10-4 X G / l | Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 X G / l | PH I; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 X G / l | PH II; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 X G / l | PH III; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 X G / l | PH IV; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 X G / l | PH V; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 X G / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 X G / l | PH VII; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-4 g / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Missam solubility | 5.3 x 10-4 g / l | PH IX; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-3 X 10-3 g / l | PH X; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 X G / l | Unbuffered aqua PH 6.99; Temp: XXV ° C | (I) ACD |
| Molaris intrinsecam solubility | 6.6 x 10-7 Mol / l | Temp: XXV ° C | (I) ACD |
| Molaris solubility | 6.6 x 10-7 Mol / l | PH I; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 6.6 x 10-7 Mol / l | PH II; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 6.6 x 10-7 Mol / l | PH III; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 6.6 x 10-7 Mol / l | PH IV; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 6.6 x 10-7 Mol / l | PH V; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 6.6 x 10-7 Mol / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Molaris solubility | 6.6 x 10-7 Mol / l | PH VII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 6.8 x 10-7 Mol / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 9.4 x 10-7 Mol / l | PH IX; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 3,4 X 10-6 Mol / l | PH X; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 6.6 x 10-7 Mol / l | Unbuffered aqua PH 6.99; Temp: XXV ° C | (I) ACD |
| Pondus | 560.60 | ||
| PKA | 9.39 ± 0.10 | Most Acidic Temp: XXV ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Densitas
| Res | Valor | Conditio | Fons |
| Densitas | 1.35 ± 0.1 G / CM3 | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
| Molaris volumine | 412,9 ± 5.0 CM3 / mol | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Res | Valor | Conditio | Fons |
| Sponte Rotatable vincula | 11 | (I) ACD | |
| H acceptors | 10 | (I) ACD | |
| H donos | 2 | (I) ACD | |
| H donator / Acceptor Sum | 12 | (I) ACD | |
| logp | 4.372 ± 0.582 | Temp: XXV ° C | (I) ACD |
| Pondus | 560.60 |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Structuram related
| Res | Valor | Conditio | Fons |
| Polar superficies regio | CXVI A2 | (I) ACD | |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra praesto
1h NMR
13c NMR
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