ChemSpider 2D Image | (2R)-2-{[(2-Amino-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}-3-hydroxypropyl dihydrogen phosphate | C10H16N5O6P

(2R)-2-{[(2-Amino-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}-3-hydroxypropyl dihydrogen phosphate

  • Molecular FormulaC10H16N5O6P
  • Average mass333.238 Da
  • Monoisotopic mass333.083832 Da
  • ChemSpider ID30823592

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-{[(2-Amino-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}-3-hydroxypropyl dihydrogen phosphate [ACD/IUPAC Name]
(2R)-2-{[(2-Amino-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}-3-hydroxypropyldihydrogenphosphat [German] [ACD/IUPAC Name]
4H-Pyrrolo[3,2-d]pyrimidin-4-one, 2-amino-3,5-dihydro-7-[[[(1R)-2-hydroxy-1-[(phosphonooxy)methyl]ethyl]amino]methyl]- [ACD/Index Name]
Dihydrogénophosphate de (2R)-2-{[(2-amino-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)méthyl]amino}-3-hydroxypropyle [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.791
Molar Refractivity: 70.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -3.02
ACD/LogD (pH 5.5): -5.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 110.5±7.0 dyne/cm
Molar Volume: 165.6±7.0 cm3

Click to predict properties on the Chemicalize site


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