ChemSpider 2D Image | (3R,4R,5S,6R)-3,4,5,6-Tetrahydroxy-2-oxepanone | C6H10O6

(3R,4R,5S,6R)-3,4,5,6-Tetrahydroxy-2-oxepanone

  • Molecular FormulaC6H10O6
  • Average mass178.140 Da
  • Monoisotopic mass178.047745 Da
  • ChemSpider ID18518023

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,4R,5S,6R)-3,4,5,6-Tetrahydroxy-2-oxepanon [German] [ACD/IUPAC Name]
(3R,4R,5S,6R)-3,4,5,6-Tetrahydroxy-2-oxepanone [ACD/IUPAC Name]
(3R,4R,5S,6R)-3,4,5,6-Tétrahydroxy-2-oxépanone [French] [ACD/IUPAC Name]
1932550-33-8 [RN]
3327-64-8 [RN]
D-(-)-Gulonic acid γ-lactone
D-Gulonolactone
Gulonolactone
GULONOLACTONE,L-(RG)

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

Density: 1.8±0.1 g/cm3
Boiling Point: 405.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.9±6.0 kJ/mol
Flash Point: 174.3±22.2 °C
Index of Refraction: 1.637
Molar Refractivity: 35.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -2.15
ACD/LogD (pH 5.5): -2.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.35
ACD/LogD (pH 7.4): -2.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.35
Polar Surface Area: 107 Å2
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 114.5±3.0 dyne/cm
Molar Volume: 99.7±3.0 cm3

Click to predict properties on the Chemicalize site


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