ChemSpider 2D Image | iso-Terrestrosin B | C45H74O17

iso-Terrestrosin B

  • Molecular FormulaC45H74O17
  • Average mass887.059 Da
  • Monoisotopic mass886.492615 Da
  • ChemSpider ID9978460

  • defined stereocentres - 27 of 27 defined stereocentres

More details:

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

(3β,5β,25S)-Spirostan-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,5β,25S)-Spirostan-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-galactopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)]-β-D-galactopyranoside de (3β,5β,25S)-spirostan-3-yle [French] [ACD/IUPAC Name]
iso-Terrestrosin B
β-D-Galactopyranoside, (3β,5β,25S)-spirostan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[β-D-glucopyranosyl-(1->4)]- [ACD/Index Name]
25(S)-5β-spirostan-3β-ol-3-O-α-L-rhamnopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL469461/

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: 1.615
Molar Refractivity: 219.3±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 170.47
ACD/KOC (pH 5.5): 1376.39
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 170.47
ACD/KOC (pH 7.4): 1376.39
Polar Surface Area: 256 Å2
Polarizability: 86.9±0.5 10-24cm3
Surface Tension: 70.9±5.0 dyne/cm
Molar Volume: 628.5±5.0 cm3

Click to predict properties on the Chemicalize site


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