ChemSpider 2D Image | bivittoside B | C54H88O22

bivittoside B

  • Molecular FormulaC54H88O22
  • Average mass1089.263 Da
  • Monoisotopic mass1088.576782 Da
  • ChemSpider ID10244714

  • defined stereocentres - 28 of 28 defined stereocentres

More details:

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

(3β,12α)-12-Hydroxy-18-oxo-18,20-epoxylanost-9(11)-en-3-yl 6-deoxy-β-D-glucopyranosyl-(1->2)-[3-O-methyl-β-D-glucopyranosyl-(1->;3)-β-D-glucopyranosyl-(1->4)]-β-D-xylopyranoside [ACD/IUPAC Name]
(3β,12α)-12-Hydroxy-18-oxo-18,20-epoxylanost-9(11)-en-3-yl-6-desoxy-β-D-glucopyranosyl-(1->2)-[3-O-methyl-β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl-(1->4)]-β-D-xylopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-β-D-glucopyranosyl-(1->2)-[3-O-méthyl-β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl-(1->4)]-β-D-xylopyranoside de (3β,12α)-12-hydroxy-18-oxo-18,20-époxylanost-9(11)-én-3-yle [French] [ACD/IUPAC Name]
bivittoside B
Lanost-9(11)-en-18-one, 3-[[O-6-deoxy-β-D-glucopyranosyl-(1->2)-O-[O-3-O-methyl-β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl-(1->4)]-β-D-xylopyranosyl]oxy]-18,20-epoxy-12-hydroxy-, (3β, 12α)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.612
Molar Refractivity: 267.3±0.4 cm3
#H bond acceptors: 22
#H bond donors: 11
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 4
ACD/LogP: 7.97
ACD/LogD (pH 5.5): 6.02
ACD/BCF (pH 5.5): 22061.96
ACD/KOC (pH 5.5): 44718.67
ACD/LogD (pH 7.4): 6.02
ACD/BCF (pH 7.4): 22061.84
ACD/KOC (pH 7.4): 44718.42
Polar Surface Area: 332 Å2
Polarizability: 106.0±0.5 10-24cm3
Surface Tension: 71.8±5.0 dyne/cm
Molar Volume: 768.9±5.0 cm3

Click to predict properties on the Chemicalize site


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