ChemSpider 2D Image | MFCD09868459 | C28H34O4S

MFCD09868459

  • Molecular FormulaC28H34O4S
  • Average mass466.632 Da
  • Monoisotopic mass466.217773 Da
  • ChemSpider ID22898725

  • defined stereocentres - 1 of 14 defined stereocentres

More details:

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

[(12S)-12-Hydroxy-13-methyloctacyclo[9.8.0.02,14.03,10.04,13.05,9.06,12.015,19]nonadec-11-yl]methyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
[(12S)-12-Hydroxy-13-methyloctacyclo[9.8.0.02,14.03,10.04,13.05,9.06,12.015,19]nonadec-11-yl]methyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
1,4,8-Methenocyclopenta[a]cyclopenta[4,5]pentaleno[2,1,6-cde]pentalene-4(1H)-methanol, hexadecahydro-9-hydroxy-8-methyl-, α-(4-methylbenzenesulfonate), (9S)- [ACD/Index Name]
4-Méthylbenzènesulfonate de [(12S)-12-hydroxy-13-méthyloctacyclo[9.8.0.02,14.03,10.04,13.05,9.06,12.015,19]nonadéc-11-yl]méthyle [French] [ACD/IUPAC Name]
MFCD09868459
RCL T211052|RCL T211052
RCL T211052
RCL T211052

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.663
Molar Refractivity: 124.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3704.42
ACD/KOC (pH 5.5): 12476.25
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3704.42
ACD/KOC (pH 7.4): 12476.25
Polar Surface Area: 72 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 335.3±3.0 cm3

Click to predict properties on the Chemicalize site


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