ChemSpider 2D Image | (6S,7R)-6-(1H-Benzimidazol-1-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide | C12H13N2O6P

(6S,7R)-6-(1H-Benzimidazol-1-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide

  • Molecular FormulaC12H13N2O6P
  • Average mass312.215 Da
  • Monoisotopic mass312.051117 Da
  • ChemSpider ID25994856

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(6S,7R) 2-Oxyde de 6-(1H-benzimidazol-1-yl)tétrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol [French] [ACD/IUPAC Name]
(6S,7R)-6-(1H-Benzimidazol-1-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2,7-diol-2-oxid [German] [ACD/IUPAC Name]
(6S,7R)-6-(1H-Benzimidazol-1-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide [ACD/IUPAC Name]
4H-Furo[3,2-d]-1,3,2-dioxaphosphorin-7-ol, 6-(1H-benzimidazol-1-yl)tetrahydro-2-hydroxy-, 2-oxide, (6S,7R)- [ACD/Index Name]
(8R,9R)-8-(benzimidazol-1-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3

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

Density: 2.0±0.1 g/cm3
Boiling Point: 589.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 310.4±32.9 °C
Index of Refraction: 1.804
Molar Refractivity: 68.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 1
#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: 113 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 97.0±7.0 dyne/cm
Molar Volume: 159.0±7.0 cm3

Click to predict properties on the Chemicalize site


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