ChemSpider 2D Image | (3beta,5xi,9beta,15alpha,16beta,23R,24S)-15,16-Dihydroxy-25-methoxy-3-(beta-D-xylopyranosyloxy)-16,23-epoxy-9,19-cyclolanost-7-en-24-yl acetate | C38H60O11

(3β,5ξ,9β,15α,16β,23R,24S)-15,16-Dihydroxy-25-methoxy-3-(β-D-xylopyranosyloxy)-16,23-epoxy-9,19-cyclolanost-7-en-24-yl acetate

  • Molecular FormulaC38H60O11
  • Average mass692.876 Da
  • Monoisotopic mass692.413574 Da
  • ChemSpider ID8993737

  • defined stereocentres - 15 of 16 defined stereocentres

More details:

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

(3β,5ξ,9β,15α,16β,23R,24S)-15,16-Dihydroxy-25-methoxy-3-(β-D-xylopyranosyloxy)-16,23-epoxy-9,19-cyclolanost-7-en-24-yl acetate [ACD/IUPAC Name]
(3β,5ξ,9β,15α,16β,23R,24S)-15,16-Dihydroxy-25-methoxy-3-(β-D-xylopyranosyloxy)-16,23-epoxy-9,19-cyclolanost-7-en-24-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,5ξ,9β,15α,16β,23R,24S)-15,16-dihydroxy-25-méthoxy-3-(β-D-xylopyranosyloxy)-16,23-époxy-9,19-cyclolanost-7-én-24-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (3β,5ξ,9β,15α,16β,23R,24S)-24-(acetyloxy)-16,23-epoxy-15,16-dihydroxy-25-methoxy-9,19-cyclolanost-7-en-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: 778.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.1±6.0 kJ/mol
Flash Point: 233.1±26.4 °C
Index of Refraction: 1.591
Molar Refractivity: 179.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 654.63
ACD/KOC (pH 5.5): 3608.21
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 654.62
ACD/KOC (pH 7.4): 3608.16
Polar Surface Area: 164 Å2
Polarizability: 71.2±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 531.6±5.0 cm3

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