ChemSpider 2D Image | 6-O-benzyl-2'-deoxyguanosine 5'-monophosphate | C17H20N5O7P

6-O-benzyl-2'-deoxyguanosine 5'-monophosphate

  • Molecular FormulaC17H20N5O7P
  • Average mass437.344 Da
  • Monoisotopic mass437.110046 Da
  • ChemSpider ID25058096

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

6-(Benzyloxy)-9-(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-9H-purin-2-amine [ACD/IUPAC Name]
6-(Benzyloxy)-9-(2-desoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-9H-purin-2-amin [German] [ACD/IUPAC Name]
6-(Benzyloxy)-9-(2-désoxy-5-O-phosphono-β-D-érythro-pentofuranosyl)-9H-purin-2-amine [French] [ACD/IUPAC Name]
6-O-benzyl-2'-deoxyguanosine 5'-monophosphate
9H-Purin-2-amine, 9-(2-deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-6-(phenylmethoxy)- [ACD/Index Name]
{(2R,3S,5R)-5-[2-amino-6-(benzyloxy)-9H-purin-9-yl]-3-hydroxytetrahydrofuran-2-yl}methyl dihydrogen phosphate
6-O-benzyldeoxyguanylic acid
  • Miscellaneous

    • Chemical Class:

      A purine 2'-deoxyribonucleoside 5'-monophosphate having 6-<element>O</element>-benzylguanine as the nucleobase. ChEBI CHEBI:41304
      A purine 2'-deoxyribonucleoside 5'-monophosphate having 6-O-benzylguanine as the nucleobase. ChEBI CHEBI:41304

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

Density: 1.8±0.1 g/cm3
Boiling Point: 832.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.8±3.0 kJ/mol
Flash Point: 457.2±37.1 °C
Index of Refraction: 1.763
Molar Refractivity: 100.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.87
ACD/LogD (pH 5.5): -3.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 88.5±7.0 dyne/cm
Molar Volume: 242.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement