ChemSpider 2D Image | 2-{4-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-[(1R)-1,2-dihydroxyethyl]-3-methyl-2-thienyl}ethyl trihydrogen diphosphate | C15H23N3O9P2S

2-{4-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-[(1R)-1,2-dihydroxyethyl]-3-methyl-2-thienyl}ethyl trihydrogen diphosphate

  • Molecular FormulaC15H23N3O9P2S
  • Average mass483.370 Da
  • Monoisotopic mass483.063019 Da
  • ChemSpider ID35033743

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-{4-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-[(1R)-1,2-dihydroxyethyl]-3-methyl-2-thienyl}ethyl trihydrogen diphosphate [ACD/IUPAC Name]
2-{4-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-[(1R)-1,2-dihydroxyethyl]-3-methyl-2-thienyl}ethyltrihydrogendiphosphat [German] [ACD/IUPAC Name]
2-{4-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]-5-[(1r)-1,2-Dihydroxyethyl]-3-Methylthiophen-2-Yl}ethyl Trihydrogen Diphosphate
Diphosphoric acid, mono[2-[4-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-[(1R)-1,2-dihydroxyethyl]-3-methyl-2-thienyl]ethyl] ester [ACD/Index Name]
Trihydrogénodiphosphate de 2-{4-[(4-amino-2-méthyl-5-pyrimidinyl)méthyl]-5-[(1R)-1,2-dihydroxyéthyl]-3-méthyl-2-thiényl}éthyle [French] [ACD/IUPAC Name]
1U0

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 787.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.2±3.0 kJ/mol
Flash Point: 430.2±35.7 °C
Index of Refraction: 1.655
Molar Refractivity: 108.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -2.87
ACD/LogD (pH 5.5): -6.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 253 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 91.1±3.0 dyne/cm
Molar Volume: 294.5±3.0 cm3

Click to predict properties on the Chemicalize site


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