ChemSpider 2D Image | (3beta)-Solanid-5-en-3-yl beta-D-glucopyranosyl-(1->4)-6-deoxy-beta-D-gulopyranosyl-(1->2)-beta-D-glucopyranoside | C45H73NO15

(3β)-Solanid-5-en-3-yl β-D-glucopyranosyl-(1->4)-6-deoxy-β-D-gulopyranosyl-(1->2)-β-D-glucopyranoside

  • Molecular FormulaC45H73NO15
  • Average mass868.059 Da
  • Monoisotopic mass867.498047 Da
  • ChemSpider ID10142705

  • defined stereocentres - 26 of 26 defined stereocentres

More details:

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

(3β)-Solanid-5-en-3-yl β-D-glucopyranosyl-(1->4)-6-deoxy-β-D-gulopyranosyl-(1->2)-β-D-glucopyranoside [ACD/IUPAC Name]
(3β)-Solanid-5-en-3-yl-β-D-glucopyranosyl-(1->4)-6-desoxy-β-D-gulopyranosyl-(1->2)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β)-solanid-5-en-3-yl O-β-D-glucopyranosyl-(1->4)-O-6-deoxy-β-D-gulopyranosyl-(1->2)- [ACD/Index Name]
β-D-Glucopyranosyl-(1->4)-6-désoxy-β-D-gulopyranosyl-(1->2)-β-D-glucopyranoside de (3β)-solanid-5-én-3-yle [French] [ACD/IUPAC Name]
Solanidine-3-O-α-L-rhamnopyranosyl-(1-->2)-β-D-glucopyranosyl-β-D-glucopyranoside

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: 1.631
Molar Refractivity: 219.4±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.25
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.52
Polar Surface Area: 241 Å2
Polarizability: 87.0±0.5 10-24cm3
Surface Tension: 72.5±5.0 dyne/cm
Molar Volume: 615.7±5.0 cm3

Click to predict properties on the Chemicalize site


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