ChemSpider 2D Image | (2R)-3-(6-Amino-9H-purin-9-yl)-2-methylpropyl dihydrogen phosphate | C9H14N5O4P

(2R)-3-(6-Amino-9H-purin-9-yl)-2-methylpropyl dihydrogen phosphate

  • Molecular FormulaC9H14N5O4P
  • Average mass287.212 Da
  • Monoisotopic mass287.078339 Da
  • ChemSpider ID26943910
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-3-(6-Amino-9H-purin-9-yl)-2-methylpropyl dihydrogen phosphate [ACD/IUPAC Name]
(2R)-3-(6-Amino-9H-purin-9-yl)-2-methylpropyldihydrogenphosphat [German] [ACD/IUPAC Name]
9H-Purine-9-propanol, 6-amino-β-methyl-, dihydrogen phosphate (ester), (βR)- [ACD/Index Name]
Dihydrogénophosphate de (2R)-3-(6-amino-9H-purin-9-yl)-2-méthylpropyle [French] [ACD/IUPAC Name]
(2R)-3-(6-AMINOPURIN-9-YL)-2-METHYLPROPOXYPHOSPHONIC ACID
[(2R)-3-(6-AMINO-9H-PURIN-9-YL)-2-METHYLPROPOXY]PHOSPHONIC ACID
L-Pyroglutaminol

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

Density: 1.8±0.1 g/cm3
Boiling Point: 610.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 323.0±34.3 °C
Index of Refraction: 1.740
Molar Refractivity: 64.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.21
ACD/LogD (pH 5.5): -4.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 90.3±7.0 dyne/cm
Molar Volume: 160.2±7.0 cm3

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