ChemSpider 2D Image | Ascorbigen B | C15H15NO6

Ascorbigen B

  • Molecular FormulaC15H15NO6
  • Average mass305.283 Da
  • Monoisotopic mass305.089935 Da
  • ChemSpider ID34996039

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,3aS,6S,6aR)-3,3a,6-Trihydroxy-3-(1H-indol-3-ylmethyl)tetrahydrofuro[3,2-b]furan-2(3H)-on (non-preferred name) [German] [ACD/IUPAC Name]
(3R,3aS,6S,6aR)-3,3a,6-Trihydroxy-3-(1H-indol-3-ylmethyl)tetrahydrofuro[3,2-b]furan-2(3H)-one (non-preferred name) [ACD/IUPAC Name]
(3R,3aS,6S,6aR)-3,3a,6-Trihydroxy-3-(1H-indol-3-ylméthyl)tétrahydrofuro[3,2-b]furan-2(3H)-one (non-preferred name) [French] [ACD/IUPAC Name]
26548-49-2 [RN]
Ascorbigen B

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

2O2RQ8RP63 [DBID]
UNII:2O2RQ8RP63 [DBID]
UNII-2O2RQ8RP63 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 644.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 343.6±31.5 °C
Index of Refraction: 1.795
Molar Refractivity: 75.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.95
ACD/KOC (pH 5.5): 56.18
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.95
ACD/KOC (pH 7.4): 56.06
Polar Surface Area: 112 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 114.2±3.0 dyne/cm
Molar Volume: 176.4±3.0 cm3

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