ChemSpider 2D Image | [(3S)-4-Hydroxy-3-{[(4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid | C11H17N4O5P

[(3S)-4-Hydroxy-3-{[(4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid

  • Molecular FormulaC11H17N4O5P
  • Average mass316.250 Da
  • Monoisotopic mass316.093658 Da
  • ChemSpider ID26328994

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(3S)-4-Hydroxy-3-{[(4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid [ACD/IUPAC Name]
[(3S)-4-Hydroxy-3-{[(4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonsäure [German] [ACD/IUPAC Name]
[(3s)-4-Hydroxy-3-{[(4-Oxo-4,5-Dihydro-3h-Pyrrolo[3,2-D]pyrimidin-7-Yl)methyl]amino}butyl]phosphonic Acid
Acide [(3S)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)méthyl]amino}butyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [(3S)-3-[[(4,5-dihydro-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino]-4-hydroxybutyl]- [ACD/Index Name]
SSI

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.733
Molar Refractivity: 71.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -3.39
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): -5.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 89.7±7.0 dyne/cm
Molar Volume: 178.4±7.0 cm3

Click to predict properties on the Chemicalize site


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