ChemSpider 2D Image | (3beta,8xi,9xi,14xi,16xi,17xi,20xi,22xi,25S)-Spirost-5-en-3-yl 6-deoxy-beta-D-gulopyranosyl-(1->2)-[6-deoxy-beta-D-gulopyranosyl-(1->4)]-beta-D-allopyranoside | C45H72O16

(3β,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ,22ξ,25S)-Spirost-5-en-3-yl 6-deoxy-β-D-gulopyranosyl-(1->2)-[6-deoxy-β-D-gulopyranosyl-(1->4)]-β-D-allopyranoside

  • Molecular FormulaC45H72O16
  • Average mass869.044 Da
  • Monoisotopic mass868.482056 Da
  • ChemSpider ID4884534

  • defined stereocentres - 19 of 26 defined stereocentres

More details:

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

(3β,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ,22ξ,25S)-Spirost-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,22ξ,25S)-Spirost-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,22ξ,25S)-spirost-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Allopyranoside, (3β,8ξ,9ξ,14ξ,16ξ,17ξ,20ξ,22ξ,25S)-spirost-5-en-3-yl O-6-deoxy-β-D-gulopyranosyl-(1->2)-O-[6-deoxy-β-D-gulopyranosyl-(1->4)]- [ACD/Index Name]
Collettinside III

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: 1.614
Molar Refractivity: 217.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 7.24
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10724.71
ACD/KOC (pH 5.5): 26701.73
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10724.54
ACD/KOC (pH 7.4): 26701.32
Polar Surface Area: 236 Å2
Polarizability: 86.2±0.5 10-24cm3
Surface Tension: 68.1±5.0 dyne/cm
Molar Volume: 623.9±5.0 cm3

Click to predict properties on the Chemicalize site


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