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Search term: 24823190 (Found by CSID)
ChemSpider 2D Image | (3S,4S)-2-{3-[(5aR,5bR,10S,11aS,13bS)-5a,5b,8,8,10,11a,13b-Heptamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl]butyl}tetrahydro-3,4-furandiol | C36H62O3

(3S,4S)-2-{3-[(5aR,5bR,10S,11aS,13bS)-5a,5b,8,8,10,11a,13b-Heptamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl]butyl}tetrahydro-3,4-furandiol

  • Molecular FormulaC36H62O3
  • Average mass542.876 Da
  • Monoisotopic mass542.469910 Da
  • ChemSpider ID24823190

  • defined stereocentres - 7 of 14 defined stereocentres

More details:

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

(3S,4S)-2-{3-[(5aR,5bR,10S,11aS,13bS)-5a,5b,8,8,10,11a,13b-Heptamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl]butyl}tetrahydro-3,4-furandiol [ACD/IUPAC Name]
(3S,4S)-2-{3-[(5aR,5bR,10S,11aS,13bS)-5a,5b,8,8,10,11a,13b-Heptamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl]butyl}tetrahydro-3,4-furandiol [German] [ACD/IUPAC Name]
(3S,4S)-2-{3-[(5aR,5bR,10S,11aS,13bS)-5a,5b,8,8,10,11a,13b-Heptaméthylicosahydro-1H-cyclopenta[a]chrysén-3-yl]butyl}tétrahydro-3,4-furanediol [French] [ACD/IUPAC Name]
3,4-Furandiol, 2-[3-[(5aR,5bR,10S,11aS,13bS)-eicosahydro-5a,5b,8,8,10,11a,13b-heptamethyl-1H-cyclopenta[a]chrysen-3-yl]butyl]tetrahydro-, (3S,4S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 604.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.1±6.0 kJ/mol
Flash Point: 319.3±28.7 °C
Index of Refraction: 1.518
Molar Refractivity: 161.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 12.43
ACD/LogD (pH 5.5): 11.05
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.05
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 50 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 532.4±3.0 cm3

Click to predict properties on the Chemicalize site


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