ChemSpider 2D Image | (4R)-4-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl]amino}-3-thioxopentyl trihydrogen diphosphate | C11H20N4O7P2S

(4R)-4-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl]amino}-3-thioxopentyl trihydrogen diphosphate

  • Molecular FormulaC11H20N4O7P2S
  • Average mass414.312 Da
  • Monoisotopic mass414.052795 Da
  • ChemSpider ID61714395

More details:

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

(4R)-4-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl]amino}-3-thioxopentyl trihydrogen diphosphate [ACD/IUPAC Name]
(4R)-4-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl]amino}-3-thioxopentyltrihydrogendiphosphat [German] [ACD/IUPAC Name]
(4S)-4-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl]amino}-3-thioxopentyl trihydrogen diphosphate [ACD/IUPAC Name]
(4S)-4-{[(4-Amino-2-methyl-5-pyrimidinyl)methyl]amino}-3-thioxopentyltrihydrogendiphosphat [German] [ACD/IUPAC Name]
Diphosphoric acid, mono[(4R)-4-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]amino]-3-thioxopentyl] ester [ACD/Index Name]
Diphosphoric acid, mono[(4S)-4-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]amino]-3-thioxopentyl] ester [ACD/Index Name]
Trihydrogénodiphosphate de (4R)-4-{[(4-amino-2-méthyl-5-pyrimidinyl)méthyl]amino}-3-thioxopentyle [French] [ACD/IUPAC Name]
Trihydrogénodiphosphate de (4S)-4-{[(4-amino-2-méthyl-5-pyrimidinyl)méthyl]amino}-3-thioxopentyle [French] [ACD/IUPAC Name]
(3z)-4-{[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]amino}-3-Mercaptopent-3-En-1-Yl Trihydrogen Diphosphate
TP9

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

Density: 1.6±0.1 g/cm3
Boiling Point: 659.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 352.4±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 92.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -2.72
ACD/LogD (pH 5.5): -6.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 229 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 88.5±3.0 dyne/cm
Molar Volume: 261.0±3.0 cm3

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