ChemSpider 2D Image | (12bS)-8-Hydroxy-12b-methyl-6-oxo-11-(sulfooxy)-2,3,6,12b-tetrahydro-1H-tetrapheno[5,4-bc]furan-9-carboxylic acid | C21H16O9S

(12bS)-8-Hydroxy-12b-methyl-6-oxo-11-(sulfooxy)-2,3,6,12b-tetrahydro-1H-tetrapheno[5,4-bc]furan-9-carboxylic acid

  • Molecular FormulaC21H16O9S
  • Average mass444.411 Da
  • Monoisotopic mass444.051514 Da
  • ChemSpider ID35516980

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(12bS)-8-Hydroxy-12b-methyl-6-oxo-11-(sulfooxy)-2,3,6,12b-tetrahydro-1H-tetrapheno[5,4-bc]furan-9-carbonsäure [German] [ACD/IUPAC Name]
(12bS)-8-Hydroxy-12b-methyl-6-oxo-11-(sulfooxy)-2,3,6,12b-tetrahydro-1H-tetrapheno[5,4-bc]furan-9-carboxylic acid [ACD/IUPAC Name]
1H-Benzo[6,7]phenanthro[10,1-bc]furan-9-carboxylic acid, 2,3,6,12b-tetrahydro-8-hydroxy-12b-methyl-6-oxo-11-(sulfooxy)-, (12bS)- [ACD/Index Name]
Acide (12bS)-8-hydroxy-12b-méthyl-6-oxo-11-(sulfooxy)-2,3,6,12b-tétrahydro-1H-tétraphéno[5,4-bc]furane-9-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.732
Molar Refractivity: 105.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): -1.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 160 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 88.4±3.0 dyne/cm
Molar Volume: 262.9±3.0 cm3

Click to predict properties on the Chemicalize site


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