ChemSpider 2D Image | (3beta,8xi,9xi,14xi,16xi,17xi,20xi)-Spirosol-5-en-3-yl 6-deoxy-beta-D-gulopyranosyl-(1->2)-[6-deoxy-beta-D-gulopyranosyl-(1->4)]-beta-D-allopyranoside | C45H73NO15

(3β,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ)-Spirosol-5-en-3-yl 6-deoxy-β-D-gulopyranosyl-(1->2)-[6-deoxy-β-D-gulopyranosyl-(1->4)]-β-D-allopyranoside

  • Molecular FormulaC45H73NO15
  • Average mass868.059 Da
  • Monoisotopic mass867.498047 Da
  • ChemSpider ID10142704
  • defined stereocentres - 18 of 26 defined stereocentres


More details:






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

(3β,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ)-Spirosol-5-en-3-yl 6-deoxy-β-D-gulopyranosyl-(1->2)-[6-deoxy-β-D-gulopyranosyl-(1->4)]-β-D-allopyranoside [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ)-Spirosol-5-en-3-yl-6-desoxy-β-D-gulopyranosyl-(1->2)-[6-desoxy-β-D-gulopyranosyl-(1->4)]-β-D-allopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-β-D-gulopyranosyl-(1->2)-[6-désoxy-β-D-gulopyranosyl-(1->4)]-β-D-allopyranoside de (3β,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ)-spirosol-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Allopyranoside, (3β,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ)-spirosol-5-en-3-yl O-6-deoxy-β-D-gulopyranosyl-(1->2)-O-[6-deoxy-β-D-gulopyranosyl-(1->4)]- [ACD/Index Name]
Solamarine

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: 1.619
Molar Refractivity: 219.4±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 7.18
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 6.58
ACD/KOC (pH 5.5): 20.67
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 218.23
ACD/KOC (pH 7.4): 685.96
Polar Surface Area: 238 Å2
Polarizability: 87.0±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 625.4±5.0 cm3

Click to predict properties on the Chemicalize site






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