ChemSpider 2D Image | 2-{4-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-[(1R)-1-hydroxyethyl]-3-methyl-2-thienyl}ethyl trihydrogen diphosphate | C15H23N3O8P2S

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

  • Molecular FormulaC15H23N3O8P2S
  • Average mass467.371 Da
  • Monoisotopic mass467.068115 Da
  • ChemSpider ID25060714

  • 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-hydroxyethyl]-3-methyl-2-thienyl}ethyl trihydrogen diphosphate [ACD/IUPAC Name]
2-{4-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-[(1R)-1-hydroxyethyl]-3-methyl-2-thienyl}ethyltrihydrogendiphosphat [German] [ACD/IUPAC Name]
2-{4-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]-5-[(1r)-1-Hydroxyethyl]-3-Methyl-2-Thienyl}ethyl Trihydrogen Diphosphate
Diphosphoric acid, mono[2-[4-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-[(1R)-1-hydroxyethyl]-3-methyl-2-thienyl]ethyl] ester [ACD/Index Name]
Trihydrogénodiphosphate de 2-{4-[(4-amino-2-méthyl-5-pyrimidinyl)méthyl]-5-[(1R)-1-hydroxyéthyl]-3-méthyl-2-thiényl}éthyle [French] [ACD/IUPAC Name]
2-{4-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]-5-[(1r)-1-Hydroxyethyl]-3-Methyl-2-Thienyl} Ethyl Trihydrogen Diphosphate
R1T

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

Density: 1.6±0.1 g/cm3
Boiling Point: 723.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 391.5±35.7 °C
Index of Refraction: 1.636
Molar Refractivity: 106.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.53
ACD/LogD (pH 5.5): -5.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 233 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 81.8±3.0 dyne/cm
Molar Volume: 297.0±3.0 cm3

Click to predict properties on the Chemicalize site


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