ChemSpider 2D Image | (3beta,6alpha,9beta,16beta,20R,24S)-16,25-Dihydroxy-3-(beta-D-xylopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-6-yl 6-deoxy-alpha-L-mannopyranoside | C41H68O13

(3β,6α,9β,16β,20R,24S)-16,25-Dihydroxy-3-(β-D-xylopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-6-yl 6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC41H68O13
  • Average mass768.971 Da
  • Monoisotopic mass768.466003 Da
  • ChemSpider ID10252329

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(3β,6α,9β,16β,20R,24S)-16,25-Dihydroxy-3-(β-D-xylopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-6-yl 6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
(3β,6α,9β,16β,20R,24S)-16,25-Dihydroxy-3-(β-D-xylopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-6-yl-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranoside de (3β,6α,9β,16β,20R,24S)-16,25-dihydroxy-3-(β-D-xylopyranosyloxy)-20,24-époxy-9,19-cyclolanostan-6-yle [French] [ACD/IUPAC Name]
α-L-Mannopyranoside, (3β,6α,9β,16β,20R,24S)-20,24-epoxy-16,25-dihydroxy-3-(β-D-xylopyranosyloxy)-9,19-cyclolanostan-6-yl 6-deoxy- [ACD/Index Name]
CHEMBL201643
cyclocarposide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 863.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.6±6.0 kJ/mol
Flash Point: 475.9±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 196.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.79
ACD/KOC (pH 5.5): 666.11
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.79
ACD/KOC (pH 7.4): 666.10
Polar Surface Area: 208 Å2
Polarizability: 77.8±0.5 10-24cm3
Surface Tension: 66.7±5.0 dyne/cm
Molar Volume: 565.4±5.0 cm3

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