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

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

  • Molecular FormulaC45H73NO14
  • Average mass852.059 Da
  • Monoisotopic mass851.503113 Da
  • ChemSpider ID9506869

  • defined stereocentres - 20 of 26 defined stereocentres

More details:

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

(3β,8ξ,9ξ,14ξ,16ξ,17ξ,22ξ)-Solanid-5-en-3-yl 6-deoxy-α-D-mannopyranosyl-(1->4)-[6-deoxy-α-L-mannopyranosyl-(1->2)]-β-L-glucopyranoside [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ,16ξ,17ξ,22ξ)-Solanid-5-en-3-yl-6-desoxy-α-D-mannopyranosyl-(1->4)-[6-desoxy-α-L-mannopyranosyl-(1->2)]-β-L-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-D-mannopyranosyl-(1->4)-[6-désoxy-α-L-mannopyranosyl-(1->2)]-β-L-glucopyranoside de (3β,8ξ,9ξ,14ξ,16ξ,17ξ,22ξ)-solanid-5-én-3-yle [French] [ACD/IUPAC Name]
β-L-Glucopyranoside, (3β,8ξ,9ξ,14ξ,16ξ,17ξ,22ξ)-solanid-5-en-3-yl O-6-deoxy-α-D-mannopyranosyl-(1->4)-O-[6-deoxy-α-L-mannopyranosyl-(1->2)]- [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: 1.622
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: 8.50
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 22.02
ACD/KOC (pH 5.5): 41.86
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 23.88
ACD/KOC (pH 7.4): 45.39
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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