ChemSpider 2D Image | (4aS,6aR,6bR,8aS,13aS,13bR,15aR,15bS)-10-Hydroxy-4,4,6a,8a,13b,15b-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,13,13a,13b,14,15,15a,15b-octadecahydro-1H-indeno[2,1-a]chrysene-9,12-disulfonic acid | C31H46O7S2

(4aS,6aR,6bR,8aS,13aS,13bR,15aR,15bS)-10-Hydroxy-4,4,6a,8a,13b,15b-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,13,13a,13b,14,15,15a,15b-octadecahydro-1H-indeno[2,1-a]chrysene-9,12-disulfonic acid

  • Molecular FormulaC31H46O7S2
  • Average mass594.823 Da
  • Monoisotopic mass594.268494 Da
  • ChemSpider ID23314567

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(4aS,6aR,6bR,8aS,13aS,13bR,15aR,15bS)-10-Hydroxy-4,4,6a,8a,13b,15b-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,13,13a,13b,14,15,15a,15b-octadecahydro-1H-indeno[2,1-a]chrysen-9,12-disulfonsäure [German] [ACD/IUPAC Name]
(4aS,6aR,6bR,8aS,13aS,13bR,15aR,15bS)-10-Hydroxy-4,4,6a,8a,13b,15b-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,13,13a,13b,14,15,15a,15b-octadecahydro-1H-indeno[2,1-a]chrysene-9,12-disulfonic acid [ACD/IUPAC Name]
1H-Indeno[2,1-a]chrysene-9,12-disulfonic acid, 2,3,4,4a,5,6,6a,6b,7,8,8a,13,13a,13b,14,15,15a,15b-octadecahydro-10-hydroxy-4,4,6a,8a,13b,15b-hexamethyl-, (4aS,6aR,6bR,8aS,13aS,13bR,15aR,15bS)- [ACD/Index Name]
Acide (4aS,6aR,6bR,8aS,13aS,13bR,15aR,15bS)-10-hydroxy-4,4,6a,8a,13b,15b-hexaméthyl-2,3,4,4a,5,6,6a,6b,7,8,8a,13,13a,13b,14,15,15a,15b-octadécahydro-1H-indéno[2,1-a]chrysène-9,12-disulfonique [French] [ACD/IUPAC Name]
Acanthosulfate

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.574
Molar Refractivity: 154.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 8.87
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 7.25
ACD/KOC (pH 5.5): 7.56
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 7.11
ACD/KOC (pH 7.4): 7.42
Polar Surface Area: 146 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 467.8±3.0 cm3

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