ChemSpider 2D Image | (3beta,5alpha,6beta,25R)-6-Hydroxyspirostan-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[6-deoxy-alpha-L-mannopyranosyl-(1->4)]-beta-D-glucopyranoside | C45H74O17

(3β,5α,6β,25R)-6-Hydroxyspirostan-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranoside

  • Molecular FormulaC45H74O17
  • Average mass887.059 Da
  • Monoisotopic mass886.492615 Da
  • ChemSpider ID28506526

  • defined stereocentres - 28 of 28 defined stereocentres

More details:

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

(3β,5α,6β,25R)-6-Hydroxyspirostan-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5α,6β,25R)-6-Hydroxyspirostan-3-yl-6-desoxy-α-L-mannopyranosyl-(1->2)-[6-desoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
256642-44-1 [RN]
6-Désoxy-α-L-mannopyranosyl-(1->2)-[6-désoxy-α-L-mannopyranosyl-(1->4)]-β-D-glucopyranoside de (3β,5α,6β,25R)-6-hydroxyspirostan-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,5α,6β,25R)-6-hydroxyspirostan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1->;2)-O-[6-deoxy-α-L-mannopyranosyl-(1->4)]- [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: 1.614
Molar Refractivity: 219.3±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 495.95
ACD/KOC (pH 5.5): 2956.11
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 495.95
ACD/KOC (pH 7.4): 2956.09
Polar Surface Area: 256 Å2
Polarizability: 86.9±0.5 10-24cm3
Surface Tension: 70.3±5.0 dyne/cm
Molar Volume: 629.1±5.0 cm3

Click to predict properties on the Chemicalize site


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