ChemSpider 2D Image | (3alpha,5beta,6beta,8alpha,10alpha,13alpha,14beta,16alpha,17alpha,24R)-6,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl 2-O-beta-L-glucopyranosyl-beta-L-xylopyranoside | C41H68O14

(3α,5β,6β,8α,10α,13α,14β,16α,17α,24R)-6,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl 2-O-β-L-glucopyranosyl-β-L-xylopyranoside

  • Molecular FormulaC41H68O14
  • Average mass784.970 Da
  • Monoisotopic mass784.460938 Da
  • ChemSpider ID68897563

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(3α,5β,6β,8α,10α,13α,14β,16α,17α,24R)-6,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl 2-O-β-L-glucopyranosyl-β-L-xylopyranoside [ACD/IUPAC Name]
(3α,5β,6β,8α,10α,13α,14β,16α,17α,24R)-6,16,25-Trihydroxy-20,24-epoxy-9,19-cyclolanostan-3-yl-2-O-β-L-glucopyranosyl-β-L-xylopyranosid [German] [ACD/IUPAC Name]
2-O-β-L-Glucopyranosyl-β-L-xylopyranoside de (3α,5β,6β,8α,10α,13α,14β,16α,17α,24R)-6,16,25-trihydroxy-20,24-époxy-9,19-cyclolanostan-3-yle [French] [ACD/IUPAC Name]
β-L-Xylopyranoside, (3α,5β,6β,8α,10α,13α,14β,16α,17α,24R)-20,24-epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl 2-O-β-L-glucopyranosyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 906.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.7±6.0 kJ/mol
Flash Point: 502.2±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 197.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.40
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 3.41
ACD/KOC (pH 5.5): 83.74
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 3.41
ACD/KOC (pH 7.4): 83.74
Polar Surface Area: 228 Å2
Polarizability: 78.4±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 562.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement