ChemSpider 2D Image | [(2S,3R,4R)-4-(6-Amino-9H-purin-9-yl)-3-(hydroxymethyl)-2-oxetanyl]methyl phosphate | C10H12N5O6P

[(2S,3R,4R)-4-(6-Amino-9H-purin-9-yl)-3-(hydroxymethyl)-2-oxetanyl]methyl phosphate

  • Molecular FormulaC10H12N5O6P
  • Average mass329.207 Da
  • Monoisotopic mass329.053619 Da
  • ChemSpider ID34999795

  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(2S,3R,4R)-4-(6-Amino-9H-purin-9-yl)-3-(hydroxymethyl)-2-oxetanyl]methyl phosphate [ACD/IUPAC Name]
[(2S,3R,4R)-4-(6-Amino-9H-purin-9-yl)-3-(hydroxymethyl)-2-oxetanyl]methylphosphat [German] [ACD/IUPAC Name]
2,3-Oxetanedimethanol, 4-(6-amino-9H-purin-9-yl)-, 2-(dihydrogen phosphate), ion(2-), (2S,3R,4R)- [ACD/Index Name]
Phosphate de [(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-3-(hydroxyméthyl)-2-oxétanyl]méthyle [French] [ACD/IUPAC Name]
[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl phosphate
oxetanocin A 4-phosphate(2-)
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion resulting from the removal of both of the protons from the dihydrogen phosphate group of oxetanocin A 4-(dihydrogen phosphate). ChEBI CHEBI:85720

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

Density:
Boiling Point: 729.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 395.2±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.74
ACD/LogD (pH 5.5): -4.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 181 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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