ChemSpider 2D Image | (10xi)-12-Sulfoabieta-8,11,13-trien-18-oic acid | C20H28O5S

(10ξ)-12-Sulfoabieta-8,11,13-trien-18-oic acid

  • Molecular FormulaC20H28O5S
  • Average mass380.498 Da
  • Monoisotopic mass380.165741 Da
  • ChemSpider ID58817043

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(10ξ)-12-Sulfoabieta-8,11,13-trien-18-oic acid [ACD/IUPAC Name]
(10ξ)-12-Sulfoabieta-8,11,13-trien-18-säure [German] [ACD/IUPAC Name]
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-sulfo-, (1R,10aR)- [ACD/Index Name]
Acide (10ξ)-12-sulfoabiéta-8,11,13-trién-18-oïque [French] [ACD/IUPAC Name]
(1R,4aS,10aR)-1,4a-dimethyl-7-(propan-2-yl)-6-sulfo-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid
33159-27-2 [RN]
ecabet [INN]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.562
Molar Refractivity: 99.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 306.5±3.0 cm3

Click to predict properties on the Chemicalize site


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