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

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

  • Molecular FormulaC6H9O9P
  • Average mass256.104 Da
  • Monoisotopic mass255.998413 Da
  • ChemSpider ID67156149

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

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

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

Density: 2.2±0.1 g/cm3
Boiling Point: 503.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.0±6.0 kJ/mol
Flash Point: 258.5±30.1 °C
Index of Refraction: 1.674
Molar Refractivity: 43.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): -0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.08
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.06
Polar Surface Area: 145 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 126.7±5.0 dyne/cm
Molar Volume: 115.9±5.0 cm3

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