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C30h30n2o8 uridine, 5'-o- [bis (IV-methoxyphen) Phenylmethyl] - (9ci, aci)
| Key physica proprietatibus | Valor | Conditio |
| Pondus | 546,57 | - |
| Melting Point (experimentalem) | 111-112 ° C | Solvente: Ethyl acetate |
| Density (praedicta) | 1.343 ± 0.06 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)C2O
Isomerici 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 = 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 = 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.
INCHI
Inchi = 1s / c30h30n2o8 / C1-37-22-12-8-20 (9-13-22) XXX (19-6-4-3-5-7-19,21-10-14-23 (38-2) 15-11-21) 39-18-24-26 (XXXIV) XXVII (XXXV) XXVIII (40-24) 32
17-16-25 (XXXIII) 31-29 (XXXII) XXXVI / H3-17,24,26-28,34-35h, 18h2,1-2H3, (h, 31,33,36) / T24-, 26-, 27-, 28- / M1 / S1
Key Inchi
Pcfsnqyxxacuhm, yuroidqlsa, n
IV alia nomina huius substantiae
5-O- [bis (IV-metoxyphen) Phenylmethyl] uridine (aci); Uridine, 5'-O- [Α, α-bis (P-metoxyphen) benzyl] - (7ci); 5'-DimethoxyyTityl Uridine; 5'-o- (4,4'-DimethoxyyTrityl) Uridine
| Proprietatibus praesto |
| Scelerum |
Scelerum
| Res | Valor | Conditio | Fons | |
| Point liquescens | 122-123 ° C | (I) CAS | ||
| Point liquescens | 111-112 ° C | Solvente: | Ethyl acetate | (II) CAS |
| Point liquescens | Vide plena Text | (III) CAS | ||
(I) zekri, negar; Bulletin de eget Societas Aethiopiae (MMX), XXIV (II), 299-304, Caplus
(II) Patil, premanand Ramrao; Journal de Carbohydrate Quaestiones (MMVIII), XXVII (V), 279-293, Caplus
(III) Khalafi, nezhad, Ali; Tetrahedron Letters, (MMIV), XLV (XXXVI), 6737-6739, Caplus
Spectra praesto
1h NMR
13c NMR
Missa
| Proprietatibus praesto |
| Biological |
| Proiectus |
| Densitas |
| Lipinski |
| Structuram related |
Biological
| Res | Valor | Conditio | Fons |
| Bioconcentration factor | CMIV | PH I; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | CMIV | PH II; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | CMIV | PH III; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | CMIV | PH IV; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | CMIV | PH V; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | CMIV | Ph VI; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | CM | PH VII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | DCCCLXI | PH VIII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | DCII | PH IX; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Bioconcentration factor | CLVI | 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 | (IV) DL | PH I; Temp: XXV ° C | (I) ACD |
| Koc | (IV) DL | PH II; Temp: XXV ° C | (I) ACD |
| Koc | (IV) DL | PH III; Temp: XXV ° C | (I) ACD |
| Koc | (IV) DL | PH IV; Temp: XXV ° C | (I) ACD |
| Koc | (IV) DL | PH V; Temp: XXV ° C | (I) ACD |
| Koc | (IV) DXL | Ph VI; Temp: XXV ° C | (I) ACD |
| Koc | (IV) DXX | PH VII; Temp: XXV ° C | (I) ACD |
| Koc | (IV) CCCXXX | PH VIII; Temp: XXV ° C | (I) ACD |
| Koc | MMMXXX | PH IX; Temp: XXV ° C | (I) ACD |
| Koc | DCCLXXXV | PH X; Temp: XXV ° C | (I) ACD |
| logd | 4.19 | PH I; Temp: XXV ° C | (I) ACD |
| logd | 4.19 | PH II; Temp: XXV ° C | (I) ACD |
| logd | 4.19 | PH III; Temp: XXV ° C | (I) ACD |
| logd | 4.19 | PH IV; Temp: XXV ° C | (I) ACD |
| logd | 4.19 | PH V; Temp: XXV ° C | (I) ACD |
| logd | 4.19 | Ph VI; Temp: XXV ° C | (I) ACD |
| logd | 4.19 | PH VII; Temp: XXV ° C | (I) ACD |
| logd | 4.17 | PH VIII; Temp: XXV ° C | (I) ACD |
| logd | 4.02 | PH IX; Temp: XXV ° C | (I) ACD |
| logd | 3.43 | PH X; Temp: XXV ° C | (I) ACD |
| logp | 4.192 ± 0.628 | Temp: XXV ° C | (I) ACD |
| Missam intrinsecam solubility | X 10-4 G / l | Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-4 G / l | PH I; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-4 G / l | PH II; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-4 G / l | PH III; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-4 G / l | PH IV; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-4 G / l | PH V; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-4 G / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-4 G / l | PH VII; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Missam solubility | 10-4 X 10-4 G / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 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 | X 10-4 G / l | Unbuffered aqua PH 6.99; Temp: XXV ° C | (I) ACD |
| Molaris intrinsecam solubility | 5.8 x 10-7 Mol / l | Temp: XXV ° C | (I) ACD |
| Molaris solubility | 5.8 x 10-7 Mol / l | PH I; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 5.8 x 10-7 Mol / l | PH II; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 5.8 x 10-7 Mol / l | PH III; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 5.8 x 10-7 Mol / l | PH IV; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 5.8 x 10-7 Mol / l | PH V; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 5.8 x 10-7 Mol / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 5.8 x 10-7 Mol / l | PH VII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 6,1 X 10-7 Mol / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | X 8,7 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 | 5.8 x 10-7 Mol / l | Unbuffered aqua PH 6.99; Temp: XXV ° C | (I) ACD |
| Pondus | 546,57 | ||
| 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 | 1.343 ± 0.06 G / CM3 | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
| Molaris volumine | 406.9 ± 3.0 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 | 3 | (I) ACD | |
| H donator / Acceptor Sum | 13 | (I) ACD | |
| logp | 4.192 ± 0.628 | Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Pondus | 546,57 | ||
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Structuram related
| Res | Valor | Conditio | Fons |
| Polar superficies regio | CXXVII 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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