ChemSpider 2D Image | (3beta,5alpha,6beta,16beta,17Z,23R)-3,5-Dihydroxy-16-methoxy-23-methylergost-17-en-6-yl acetate | C32H54O5

(3β,5α,6β,16β,17Z,23R)-3,5-Dihydroxy-16-methoxy-23-methylergost-17-en-6-yl acetate

  • Molecular FormulaC32H54O5
  • Average mass518.768 Da
  • Monoisotopic mass518.397095 Da
  • ChemSpider ID35516814

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β,5α,6β,16β,17Z,23R)-3,5-Dihydroxy-16-methoxy-23-methylergost-17-en-6-yl acetate [ACD/IUPAC Name]
(3β,5α,6β,16β,17Z,23R)-3,5-Dihydroxy-16-methoxy-23-methylergost-17-en-6-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,5α,6β,16β,17Z,23R)-3,5-dihydroxy-16-méthoxy-23-méthylergost-17-én-6-yle [French] [ACD/IUPAC Name]
Ergost-17-ene-3,5,6-triol, 16-methoxy-23-methyl-, 6-acetate, (3β,5α,6β,16β,17Z,23R)- [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: 578.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.5±6.0 kJ/mol
Flash Point: 172.5±23.6 °C
Index of Refraction: 1.529
Molar Refractivity: 148.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.93
ACD/LogD (pH 5.5): 6.76
ACD/BCF (pH 5.5): 81094.48
ACD/KOC (pH 5.5): 113615.12
ACD/LogD (pH 7.4): 6.76
ACD/BCF (pH 7.4): 81094.48
ACD/KOC (pH 7.4): 113615.12
Polar Surface Area: 76 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 479.5±5.0 cm3

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