ChemSpider 2D Image | TCMDC-131639 | C9H14N5O7P

TCMDC-131639

  • Molecular FormulaC9H14N5O7P
  • Average mass335.211 Da
  • Monoisotopic mass335.063080 Da
  • ChemSpider ID24571613

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[({(2S)-1-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)oxy]-3-hydroxy-2-propanyl}oxy)methyl]phosphonic acid [ACD/IUPAC Name]
[({(2S)-1-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)oxy]-3-hydroxy-2-propanyl}oxy)methyl]phosphonsäure [German] [ACD/IUPAC Name]
[({(2S)-1-[(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)oxy]-3-hydroxypropan-2-yl}oxy)methyl]phosphonic acid
Acide [({(2S)-1-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)oxy]-3-hydroxy-2-propanyl}oxy)méthyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[(1S)-2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)oxy]-1-(hydroxymethyl)ethoxy]methyl]- [ACD/Index Name]
TCMDC-131639
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.34062026 GlaxoSmithKline Malaria Set

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.778
Molar Refractivity: 67.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.15
ACD/LogD (pH 5.5): -6.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 115.9±7.0 dyne/cm
Molar Volume: 162.1±7.0 cm3

Click to predict properties on the Chemicalize site


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