ChemSpider 2D Image | (3beta,9xi,14xi,16xi,17xi,20xi,22xi)-Spirost-5-en-3-yl beta-D-allopyranosyl-(1->3)-[6-deoxy-beta-D-allopyranosyl-(1->2)]-beta-D-allopyranoside | C45H72O17

(3β,9ξ,14ξ,16ξ,17ξ,20ξ,22ξ)-Spirost-5-en-3-yl β-D-allopyranosyl-(1->3)-[6-deoxy-β-D-allopyranosyl-(1->2)]-β-D-allopyranoside

  • Molecular FormulaC45H72O17
  • Average mass885.043 Da
  • Monoisotopic mass884.476929 Da
  • ChemSpider ID4884763

  • defined stereocentres - 19 of 26 defined stereocentres

More details:

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

(3β,9ξ,14ξ,16ξ,17ξ,20ξ,22ξ)-Spirost-5-en-3-yl β-D-allopyranosyl-(1->3)-[6-deoxy-β-D-allopyranosyl-(1->2)]-β-D-allopyranoside [ACD/IUPAC Name]
(3β,9ξ,14ξ,16ξ,17ξ,20ξ,22ξ)-Spirost-5-en-3-yl-β-D-allopyranosyl-(1->3)-[6-desoxy-β-D-allopyranosyl-(1->2)]-β-D-allopyranosid [German] [ACD/IUPAC Name]
β-D-Allopyranoside, (3β,9ξ,14ξ,16ξ,17ξ,20ξ,22ξ)-spirost-5-en-3-yl O-β-D-allopyranosyl-(1->3)-O-[6-deoxy-β-D-allopyranosyl-(1->2)]- [ACD/Index Name]
β-D-Allopyranosyl-(1->3)-[6-désoxy-β-D-allopyranosyl-(1->2)]-β-D-allopyranoside de (3β,9ξ,14ξ,16ξ,17ξ,20ξ,22ξ)-spirost-5-én-3-yle [French] [ACD/IUPAC Name]
Gracillin

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: 1.623
Molar Refractivity: 219.0±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 212.52
ACD/KOC (pH 5.5): 1611.71
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 212.52
ACD/KOC (pH 7.4): 1611.70
Polar Surface Area: 256 Å2
Polarizability: 86.8±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 621.0±5.0 cm3

Click to predict properties on the Chemicalize site


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