ChemSpider 2D Image | (3beta,8xi,9xi,10alpha,14xi,16xi,17xi,20xi,22xi,25xi)-Solanid-5-en-3-yl 6-deoxy-beta-L-mannopyranosyl-(1->2)-6-deoxy-beta-L-mannopyranosyl-(1->4)-beta-D-glucopyranoside | C45H73NO14

(3β,8ξ,9ξ,10α,14ξ,16ξ,17ξ,20ξ,22ξ,25ξ)-Solanid-5-en-3-yl 6-deoxy-β-L-mannopyranosyl-(1->2)-6-deoxy-β-L-mannopyranosyl-(1->4)-β-D-glucopyranoside

  • Molecular FormulaC45H73NO14
  • Average mass852.059 Da
  • Monoisotopic mass851.503113 Da
  • ChemSpider ID21169411
  • defined stereocentres - 18 of 26 defined stereocentres


More details:






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

(3β,8ξ,9ξ,10α,14ξ,16ξ,17ξ,20ξ,22ξ,25ξ)-Solanid-5-en-3-yl 6-deoxy-β-L-mannopyranosyl-(1->2)-6-deoxy-β-L-mannopyranosyl-(1->4)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,8ξ,9ξ,10α,14ξ,16ξ,17ξ,20ξ,22ξ,25ξ)-Solanid-5-en-3-yl-6-desoxy-β-L-mannopyranosyl-(1->2)-6-desoxy-β-L-mannopyranosyl-(1->4)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-β-L-mannopyranosyl-(1->2)-6-désoxy-β-L-mannopyranosyl-(1->4)-β-D-glucopyranoside de (3β,8ξ,9ξ,10α,14ξ,16ξ,17ξ,20ξ,22ξ,25ξ)-solanid-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,8ξ,9ξ,10α,14ξ,16ξ,17ξ,20ξ,22ξ,25ξ)-solanid-5-en-3-yl O-6-deoxy-β-L-mannopyranosyl-(1->2)-O-6-deoxy-β-L-mannopyranosyl-(1->;4)- [ACD/Index Name]

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

22455_FLUKA [DBID]
C3768_SIGMA [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.622
Molar Refractivity: 217.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 6.73
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 2.09
ACD/KOC (pH 5.5): 7.76
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 2.27
ACD/KOC (pH 7.4): 8.41
Polar Surface Area: 220 Å2
Polarizability: 86.3±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 618.6±5.0 cm3

Click to predict properties on the Chemicalize site






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