ChemSpider 2D Image | [2-[4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-[(1S)-1,2-dihydroxyethyl]-3-methyl-2-thienyl]ethoxy-oxido-phosphoryl] phosphate | C15H20N3O9P2S

[2-[4-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-[(1S)-1,2-dihydroxyethyl]-3-methyl-2-thienyl]ethoxy-oxido-phosphoryl] phosphate

  • Molecular FormulaC15H20N3O9P2S
  • Average mass480.348 Da
  • Monoisotopic mass480.041199 Da
  • ChemSpider ID31092602
  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

Diphosphoric acid, mono[2-[4-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-[(1S)-1,2-dihydroxyethyl]-3-methyl-2-thienyl]ethyl] ester, ion(3-) [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
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:
Molar Refractivity:
#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: 262 Å2
Polarizability:
Surface Tension:
Molar Volume:

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