ChemSpider 2D Image | (1alpha,3beta,9beta,15alpha,23R,24S)-1,15,16-Trihydroxy-25-methoxy-3-(beta-D-xylopyranosyloxy)-16,23-epoxy-9,19-cyclolanostan-24-yl acetate | C38H62O12

(1α,3β,9β,15α,23R,24S)-1,15,16-Trihydroxy-25-methoxy-3-(β-D-xylopyranosyloxy)-16,23-epoxy-9,19-cyclolanostan-24-yl acetate

  • Molecular FormulaC38H62O12
  • Average mass710.892 Da
  • Monoisotopic mass710.424133 Da
  • ChemSpider ID9017807

  • defined stereocentres - 17 of 18 defined stereocentres

More details:

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

(1α,3β,9β,15α,23R,24S)-1,15,16-Trihydroxy-25-methoxy-3-(β-D-xylopyranosyloxy)-16,23-epoxy-9,19-cyclolanostan-24-yl acetate [ACD/IUPAC Name]
(1α,3β,9β,15α,23R,24S)-1,15,16-Trihydroxy-25-methoxy-3-(β-D-xylopyranosyloxy)-16,23-epoxy-9,19-cyclolanostan-24-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1α,3β,9β,15α,23R,24S)-1,15,16-trihydroxy-25-méthoxy-3-(β-D-xylopyranosyloxy)-16,23-époxy-9,19-cyclolanostan-24-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (1α,3β,9β,15α,23R,24S)-24-(acetyloxy)-16,23-epoxy-1,15,16-trihydroxy-25-methoxy-9,19-cyclolanostan-3-yl [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 796.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.0±6.0 kJ/mol
Flash Point: 238.1±26.4 °C
Index of Refraction: 1.591
Molar Refractivity: 181.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.33
ACD/KOC (pH 5.5): 639.20
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.33
ACD/KOC (pH 7.4): 639.19
Polar Surface Area: 185 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 536.8±5.0 cm3

Click to predict properties on the Chemicalize site


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