ChemSpider 2D Image | (3S,5R,6S,7S,8R)-5-Methyl-2,4,9,10-tetraoxa-1-phosphatricyclo[5.2.1.0~3,8~]decane-3,6,7,8-tetrol 1-oxide | C6H9O9P

(3S,5R,6S,7S,8R)-5-Methyl-2,4,9,10-tetraoxa-1-phosphatricyclo[5.2.1.03,8]decane-3,6,7,8-tetrol 1-oxide

  • Molecular FormulaC6H9O9P
  • Average mass256.104 Da
  • Monoisotopic mass255.998413 Da
  • ChemSpider ID66423927
  • defined stereocentres - 5 of 6 defined stereocentres


More details:






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

(3S,5R,6S,7S,8R) 1-Oxyde de 5-méthyl-2,4,9,10-tétraoxa-1-phosphatricyclo[5.2.1.03,8]décane-3,6,7,8-tétrol [French] [ACD/IUPAC Name]
(3S,5R,6S,7S,8R)-5-Methyl-2,4,9,10-tetraoxa-1-phosphatricyclo[5.2.1.03,8]decan-3,6,7,8-tetrol-1-oxid [German] [ACD/IUPAC Name]
(3S,5R,6S,7S,8R)-5-Methyl-2,4,9,10-tetraoxa-1-phosphatricyclo[5.2.1.03,8]decane-3,6,7,8-tetrol 1-oxide [ACD/IUPAC Name]
2,7-Epoxy-5H-1,3,2-dioxaphospholo[4,5-b]pyran-3a,6,7,7a(6H)-tetrol, 5-methyl-, 2-oxide, (3aS,5R,6S,7S,7aR)- [ACD/Index Name]
6-deoxyglucose-phosphate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.2±0.1 g/cm3
Boiling Point: 437.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±6.0 kJ/mol
Flash Point: 218.1±28.7 °C
Index of Refraction: 1.676
Molar Refractivity: 43.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): -0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.33
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.99
Polar Surface Area: 145 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 125.4±5.0 dyne/cm
Molar Volume: 115.7±5.0 cm3

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