ChemSpider 2D Image | (10bS)-10b-Methyl-6-oxo-9-[(2-sulfoethyl)carbamoyl]-2,3,6,10b-tetrahydro-1H-phenanthro[10,1-bc]furan-8-carboxylic acid | C20H19NO8S

(10bS)-10b-Methyl-6-oxo-9-[(2-sulfoethyl)carbamoyl]-2,3,6,10b-tetrahydro-1H-phenanthro[10,1-bc]furan-8-carboxylic acid

  • Molecular FormulaC20H19NO8S
  • Average mass433.432 Da
  • Monoisotopic mass433.083130 Da
  • ChemSpider ID35516978

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(10bS)-10b-Methyl-6-oxo-9-[(2-sulfoethyl)carbamoyl]-2,3,6,10b-tetrahydro-1H-phenanthro[10,1-bc]furan-8-carbonsäure [German] [ACD/IUPAC Name]
(10bS)-10b-Methyl-6-oxo-9-[(2-sulfoethyl)carbamoyl]-2,3,6,10b-tetrahydro-1H-phenanthro[10,1-bc]furan-8-carboxylic acid [ACD/IUPAC Name]
1H-Phenanthro[10,1-bc]furan-8-carboxylic acid, 2,3,6,10b-tetrahydro-10b-methyl-6-oxo-9-[[(2-sulfoethyl)amino]carbonyl]-, (10bS)- [ACD/Index Name]
Acide (10bS)-10b-méthyl-6-oxo-9-[(2-sulfoéthyl)carbamoyl]-2,3,6,10b-tétrahydro-1H-phénanthro[10,1-bc]furane-8-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.650
Molar Refractivity: 102.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): -4.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 73.6±3.0 dyne/cm
Molar Volume: 279.7±3.0 cm3

Click to predict properties on the Chemicalize site


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