ChemSpider 2D Image | 2-(Dimethylamino)-9-(5-O-phosphono-beta-D-glycero-pentofuranosyl)-1,9-dihydro-6H-purin-6-one | C12H18N5O8P

2-(Dimethylamino)-9-(5-O-phosphono-β-D-glycero-pentofuranosyl)-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC12H18N5O8P
  • Average mass391.274 Da
  • Monoisotopic mass391.089294 Da
  • ChemSpider ID107444823

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

2-(Dimethylamino)-9-(5-O-phosphono-β-D-glycero-pentofuranosyl)-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-(Dimethylamino)-9-(5-O-phosphono-β-D-glycero-pentofuranosyl)-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-(Diméthylamino)-9-(5-O-phosphono-β-D-glycéro-pentofuranosyl)-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-(dimethylamino)-1,9-dihydro-9-(5-O-phosphono-β-D-glycero-pentofuranosyl)- [ACD/Index Name]
4214-21-5 [RN]

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: 1.798
Molar Refractivity: 81.7±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.83
ACD/LogD (pH 5.5): -6.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 189 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 103.6±7.0 dyne/cm
Molar Volume: 191.3±7.0 cm3

Click to predict properties on the Chemicalize site


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