ChemSpider 2D Image | 2-(~15~N)Amino-9-[(4aR,6R,7S)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl](4,5,6-~13~C_3_,1,3,9-~15~N_3_)-1,9-dihydro-6H-purin-6-one | C713C3H12N15N4O7P

2-(15N)Amino-9-[(4aR,6R,7S)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl](4,5,6-13C3,1,3,9-15N3)-1,9-dihydro-6H-purin-6-one

  • Molecular FormulaC713C3H12N15N4O7P
  • Average mass352.157 Da
  • Monoisotopic mass352.045624 Da
  • ChemSpider ID58784181

  • defined stereocentres - 3 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2-(15N)Amino-9-[(4aR,6R,7S)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl](4,5,6-13C3,1,3,9-15N3)-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-(15N)Amino-9-[(4aR,6R,7S)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl](4,5,6-13C3,1,3,9-15N3)-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-(15N)Amino-9-[(4aR,6R,7S)-2,7-dihydroxy-2-oxydotétrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl](4,5,6-13C3,1,3,9-15N3)-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one-4,5,6-13C3-1,3,9-15N3, 2-(amino-15N)-1,9-dihydro-9-[(4aR,6R,7S)-tetrahydro-2,7-dihydroxy-2-oxido-4H-furo[3,2-d]-1,3,2-dioxaphosphorin-6-yl]- [ACD/Index Name]

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

Density: 2.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 2.065
Molar Refractivity: 67.9±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 175.4±7.0 dyne/cm
Molar Volume: 130.3±7.0 cm3

Click to predict properties on the Chemicalize site


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