ChemSpider 2D Image | ribisin A | C13H12O5

ribisin A

  • Molecular FormulaC13H12O5
  • Average mass248.231 Da
  • Monoisotopic mass248.068466 Da
  • ChemSpider ID28536064

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2S,3R,4R)-3,4-Dihydroxy-2-methoxy-3,4-dihydrodibenzo[b,d]furan-1(2H)-on [German] [ACD/IUPAC Name]
(2S,3R,4R)-3,4-Dihydroxy-2-methoxy-3,4-dihydrodibenzo[b,d]furan-1(2H)-one [ACD/IUPAC Name]
(2S,3R,4R)-3,4-Dihydroxy-2-méthoxy-3,4-dihydrodibenzo[b,d]furan-1(2H)-one [French] [ACD/IUPAC Name]
1(2H)-Dibenzofuranone, 3,4-dihydro-3,4-dihydroxy-2-methoxy-, (2S,3R,4R)- [ACD/Index Name]
ribisin A
(4S,5R,6R)-5,6-dihydroxy-4-methoxy-8-oxatricyclo[7.4.0.02,?]trideca-1(13),2(7),9,11-tetraen-3-one
1415408-05-7 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 427.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 212.0±28.7 °C
Index of Refraction: 1.664
Molar Refractivity: 62.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 3.28
ACD/KOC (pH 5.5): 81.49
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.28
ACD/KOC (pH 7.4): 81.49
Polar Surface Area: 80 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 68.1±5.0 dyne/cm
Molar Volume: 169.3±5.0 cm3

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