C30H30N2O8 Uridine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]- (9CI, ACI)
Zvinhu Zvinokosha Zvemuviri | Value | Condition |
Molecular Weight | 546.57 | - |
Melting Point (Yekuedza) | 111-112 °C | Solvent: Ethyl acetate |
Density (zvakafanotaurwa) | 1.343±0.06 g/cm3 | Tembiricha: 20 °C; Dhinda: 760 Torr |
pKa (Zvakafanotaurwa) | 9.39±0.10 | Yakanyanya Acid Temp: 25 °C |
Canonical SMILES O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=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
InChi Key
PCFSNQYXXACUHM-YULOIDQLSA-N
4 Mamwe Mazita eChinhu ichi
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]uridine (ACI); Uridine, 5'-O-α, α-bis(p-methoxyphenyl) benzyl]- (7CI); 5'-Dimethoxytrityl uridine; 5′-O-(4,4′-Dimethoxytrityl)uridine
Properties iripo |
Thermal |
Thermal
Property | Value | Condition | Source | |
Melting Point | 122-123 °C | (1) CAS | ||
Melting Point | 111-112 °C | Solvent: | Ethyl acetate | (2) CAS |
Melting Point | Ona Rugwaro Rwakazara | (3) CAS |
(1) Zekri, Negari; Bulletin yeChemical Society yeEthiopia, (2010), 24 (2), 299-304, CAplus
(2) Patil, Premanand Ramrao; Nyaya yeCarbohydrate Chemistry, (2008), 27 (5), 279-293, CAplus
(3) Khalafi-Nezhad, Ali; Tetrahedron Letters, (2004), 45(36), 6737-6739, CAplus
Spectra iripo
1H NMR
13C NMR
Misa
Properties iripo |
Biological |
Chemical |
Density |
Lipinski |
Chimiro Chinoenderana |
Biological
Property | Value | Condition | Source |
Bioconcentration Factor | 904 | pH 1; Tembiricha: 25 °C | (1) ACD |
Bioconcentration Factor | 904 | pH 2; Tembiricha: 25 °C | (1) ACD |
Bioconcentration Factor | 904 | pH 3; Tembiricha: 25 °C | (1) ACD |
Bioconcentration Factor | 904 | pH 4; Tembiricha: 25 °C | (1) ACD |
Bioconcentration Factor | 904 | pH 5; Tembiricha: 25 °C | (1) ACD |
Bioconcentration Factor | 904 | pH 6; Tembiricha: 25 °C | (1) ACD |
Bioconcentration Factor | 900 | pH 7; Tembiricha: 25 °C | (1) ACD |
Bioconcentration Factor | 861 | pH 8; Tembiricha: 25 °C | (1) ACD |
Bioconcentration Factor | 602 | pH 9; Tembiricha: 25 °C | (1) ACD |
Property | Value | Condition | Source |
Bioconcentration Factor | 156 | pH 10; Tembiricha: 25 °C | (1) ACD |
(1) Yakaverengwa uchishandisa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemical
Property | Value | Condition | Source |
Koc | 4550 | pH 1; Tembiricha: 25 °C | (1) ACD |
Koc | 4550 | pH 2; Tembiricha: 25 °C | (1) ACD |
Koc | 4550 | pH 3; Tembiricha: 25 °C | (1) ACD |
Koc | 4550 | pH 4; Tembiricha: 25 °C | (1) ACD |
Koc | 4550 | pH 5; Tembiricha: 25 °C | (1) ACD |
Koc | 4540 | pH 6; Tembiricha: 25 °C | (1) ACD |
Koc | 4520 | pH 7; Tembiricha: 25 °C | (1) ACD |
Koc | 4330 | pH 8; Tembiricha: 25 °C | (1) ACD |
Koc | 3030 | pH 9; Tembiricha: 25 °C | (1) ACD |
Koc | 785 | pH 10; Tembiricha: 25 °C | (1) ACD |
logD | 4.19 | pH 1; Tembiricha: 25 °C | (1) ACD |
logD | 4.19 | pH 2; Tembiricha: 25 °C | (1) ACD |
logD | 4.19 | pH 3; Tembiricha: 25 °C | (1) ACD |
logD | 4.19 | pH 4; Tembiricha: 25 °C | (1) ACD |
logD | 4.19 | pH 5; Tembiricha: 25 °C | (1) ACD |
logD | 4.19 | pH 6; Tembiricha: 25 °C | (1) ACD |
logD | 4.19 | pH 7; Tembiricha: 25 °C | (1) ACD |
logD | 4.17 | pH 8; Tembiricha: 25 °C | (1) ACD |
logD | 4.02 | pH 9; Tembiricha: 25 °C | (1) ACD |
logD | 3.43 | pH 10; Tembiricha: 25 °C | (1) ACD |
logP | 4.192±0.628 | Tembiricha: 25 °C | (1) ACD |
Mass Intrinsic Solubility | 3.2 x 10-4 g/L | Tembiricha: 25 °C | (1) ACD |
Mass Solubility | 3.2 x 10-4 g/L | pH 1; Tembiricha: 25 °C | (1) ACD |
Mass Solubility | 3.2 x 10-4 g/L | pH 2; Tembiricha: 25 °C | (1) ACD |
Mass Solubility | 3.2 x 10-4 g/L | pH 3; Tembiricha: 25 °C | (1) ACD |
Mass Solubility | 3.2 x 10-4 g/L | pH 4; Tembiricha: 25 °C | (1) ACD |
Mass Solubility | 3.2 x 10-4 g/L | pH 5; Tembiricha: 25 °C | (1) ACD |
Mass Solubility | 3.2 x 10-4 g/L | pH 6; Tembiricha: 25 °C | (1) ACD |
Mass Solubility | 3.2 x 10-4 g/L | pH 7; Tembiricha: 25 °C | (1) ACD |
Property | Value | Condition | Source |
Mass Solubility | 3.3 x 10-4 g/L | pH 8; Tembiricha: 25 °C | (1) ACD |
Mass Solubility | 4.8 x 10-4 g/L | pH 9; Tembiricha: 25 °C | (1) ACD |
Mass Solubility | 1.9 x 10-3 g/L | pH 10; Tembiricha: 25 °C | (1) ACD |
Mass Solubility | 3.2 x 10-4 g/L | Unbuffered Mvura pH 6.99; Tembiricha: 25 °C | (1) ACD |
Molar Intrinsic Solubility | 5.8 x 10-7 mol/L | Tembiricha: 25 °C | (1) ACD |
Molar Solubility | 5.8 x 10-7 mol/L | pH 1; Tembiricha: 25 °C | (1) ACD |
Molar Solubility | 5.8 x 10-7 mol/L | pH 2; Tembiricha: 25 °C | (1) ACD |
Molar Solubility | 5.8 x 10-7 mol/L | pH 3; Tembiricha: 25 °C | (1) ACD |
Molar Solubility | 5.8 x 10-7 mol/L | pH 4; Tembiricha: 25 °C | (1) ACD |
Molar Solubility | 5.8 x 10-7 mol/L | pH 5; Tembiricha: 25 °C | (1) ACD |
Molar Solubility | 5.8 x 10-7 mol/L | pH 6; Tembiricha: 25 °C | (1) ACD |
Molar Solubility | 5.8 x 10-7 mol/L | pH 7; Tembiricha: 25 °C | (1) ACD |
Molar Solubility | 6.1 x 10-7 mol/L | pH 8; Tembiricha: 25 °C | (1) ACD |
Molar Solubility | 8.7 x 10-7 mol/L | pH 9; Tembiricha: 25 °C | (1) ACD |
Molar Solubility | 3.4 x 10-6 mol/L | pH 10; Tembiricha: 25 °C | (1) ACD |
Molar Solubility | 5.8 x 10-7 mol/L | Unbuffered Mvura pH 6.99; Tembiricha: 25 °C | (1) ACD |
Molecular Weight | 546.57 | ||
pKa | 9.39±0.10 | Yakanyanya Acid Temp: 25 °C | (1) ACD |
(1) Yakaverengwa uchishandisa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Density
Property | Value | Condition | Source |
Density | 1.343±0.06 g/cm3 | Tembiricha: 20 °C; Dhinda: 760 Torr | (1) ACD |
Molar Volume | 406.9±3.0 cm3/mol | Tembiricha: 20 °C; Dhinda: 760 Torr | (1) ACD |
(1) Yakaverengwa uchishandisa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Property | Value | Condition | Source |
Zvakasununguka Zvisungo Zvinotenderera | 11 | (1) ACD | |
H Vagamuchiri | 10 | (1) ACD | |
H Vanopa | 3 | (1) ACD | |
H Donor/Acceptor Sum | 13 | (1) ACD | |
logP | 4.192±0.628 | Tembiricha: 25 °C | (1) ACD |
Property | Value | Condition | Source |
Molecular Weight | 546.57 |
(1) Yakaverengwa uchishandisa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chimiro Chinoenderana
Property | Value | Condition | Source |
Nzvimbo yePolar Surface | 127 A2 | (1) ACD |
(1) Yakaverengwa uchishandisa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra iripo
1H NMR
13C NMR