Found 1 result

Search term: 24823192 (Found by CSID)
ChemSpider 2D Image | (3S,4S)-2-{3-[(5aR,5bR,11aS,13bS)-5a,5b,8,8,11a,13b-Hexamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl]-1-hydroxybutyl}tetrahydro-3,4-furandiol | C35H60O4

(3S,4S)-2-{3-[(5aR,5bR,11aS,13bS)-5a,5b,8,8,11a,13b-Hexamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl]-1-hydroxybutyl}tetrahydro-3,4-furandiol

  • Molecular FormulaC35H60O4
  • Average mass544.849 Da
  • Monoisotopic mass544.449158 Da
  • ChemSpider ID24823192

  • defined stereocentres - 6 of 14 defined stereocentres

More details:

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

(3S,4S)-2-{3-[(5aR,5bR,11aS,13bS)-5a,5b,8,8,11a,13b-Hexamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl]-1-hydroxybutyl}tetrahydro-3,4-furandiol [ACD/IUPAC Name]
(3S,4S)-2-{3-[(5aR,5bR,11aS,13bS)-5a,5b,8,8,11a,13b-Hexamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl]-1-hydroxybutyl}tetrahydro-3,4-furandiol [German] [ACD/IUPAC Name]
(3S,4S)-2-{3-[(5aR,5bR,11aS,13bS)-5a,5b,8,8,11a,13b-Hexaméthylicosahydro-1H-cyclopenta[a]chrysén-3-yl]-1-hydroxybutyl}tétrahydro-3,4-furanediol [French] [ACD/IUPAC Name]
D-erythro-Octitol, 1,4-anhydro-6,7,8-trideoxy-7-[(5aR,5bR,11aS,13bS)-eicosahydro-5a,5b,8,8,11a,13b-hexamethyl-1H-cyclopenta[a]chrysen-3-yl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 626.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.2±6.0 kJ/mol
Flash Point: 332.5±28.7 °C
Index of Refraction: 1.534
Molar Refractivity: 158.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 11.19
ACD/LogD (pH 5.5): 9.41
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3133480.50
ACD/LogD (pH 7.4): 9.41
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3133477.00
Polar Surface Area: 70 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 507.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement