ChemSpider 2D Image | (3aS,4R,5S,6S,7R,7aS)Hexahydro-1,3,2-benzodioxaphosphole-2,4,5,6,7-pentol 2-oxide | C6H11O8P

(3aS,4R,5S,6S,7R,7aS)Hexahydro-1,3,2-benzodioxaphosphole-2,4,5,6,7-pentol 2-oxide

  • Molecular FormulaC6H11O8P
  • Average mass242.120 Da
  • Monoisotopic mass242.019150 Da
  • ChemSpider ID59701052

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3aS,4R,5S,6S,7R,7aS) 2-Oxyde de hexahydro-1,3,2-benzodioxaphosphole-2,4,5,6,7-pentol [French] [ACD/IUPAC Name]
(3aS,4R,5S,6S,7R,7aS)Hexahydro-1,3,2-benzodioxaphosphol-2,4,5,6,7-pentol-2-oxid [German] [ACD/IUPAC Name]
(3aS,4R,5S,6S,7R,7aS)Hexahydro-1,3,2-benzodioxaphosphole-2,4,5,6,7-pentol 2-oxide [ACD/IUPAC Name]
1,3,2-Benzodioxaphosphole-4,5,6,7-tetrol, hexahydro-2-hydroxy-, 2-oxide, (3aS,4R,5S,6S,7R,7aS)- [ACD/Index Name]
inositol 1,6-cyclic phosphate

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

Density: 2.0±0.1 g/cm3
Boiling Point: 436.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±6.0 kJ/mol
Flash Point: 218.0±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 43.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 0
#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: 146 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 115.6±5.0 dyne/cm
Molar Volume: 120.8±5.0 cm3

Click to predict properties on the Chemicalize site


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