ChemSpider 2D Image | (3beta,9beta,17beta,20R,25R)-Spirost-5-en-3-yl 6-deoxy-alpha-L-glucopyranosyl-(1->2)-[6-deoxy-alpha-L-glucopyranosyl-(1->4)]-beta-D-mannopyranoside | C45H72O16

(3β,9β,17β,20R,25R)-Spirost-5-en-3-yl 6-deoxy-α-L-glucopyranosyl-(1->2)-[6-deoxy-α-L-glucopyranosyl-(1->4)]-β-D-mannopyranoside

  • Molecular FormulaC45H72O16
  • Average mass869.044 Da
  • Monoisotopic mass868.482056 Da
  • ChemSpider ID58131924

  • defined stereocentres - 26 of 26 defined stereocentres

More details:

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

(3β,9β,17β,20R,25R)-Spirost-5-en-3-yl 6-deoxy-α-L-glucopyranosyl-(1->2)-[6-deoxy-α-L-glucopyranosyl-(1->4)]-β-D-mannopyranoside [ACD/IUPAC Name]
(3β,9β,17β,20R,25R)-Spirost-5-en-3-yl-6-desoxy-α-L-glucopyranosyl-(1->2)-[6-desoxy-α-L-glucopyranosyl-(1->4)]-β-D-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-glucopyranosyl-(1->2)-[6-désoxy-α-L-glucopyranosyl-(1->4)]-β-D-mannopyranoside de (3β,9β,17β,20R,25R)-spirost-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Mannopyranoside, (3β,9β,17β,20β,25R)-spirost-5-en-3-yl O-6-deoxy-α-L-glucopyranosyl-(1->2)-O-[6-deoxy-α-L-glucopyranosyl-(1->4)]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3348948/

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: 217.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 7.24
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10724.71
ACD/KOC (pH 5.5): 26701.73
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10724.54
ACD/KOC (pH 7.4): 26701.32
Polar Surface Area: 236 Å2
Polarizability: 86.2±0.5 10-24cm3
Surface Tension: 68.1±5.0 dyne/cm
Molar Volume: 623.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement