ChemSpider 2D Image | (3beta,16xi,17xi)-Spirost-5-en-3-yl 6-deoxyhexopyranosyl-(1->2)-[hexopyranosyl-(1->4)]hexopyranoside | C45H72O17

(3β,16ξ,17ξ)-Spirost-5-en-3-yl 6-deoxyhexopyranosyl-(1->2)-[hexopyranosyl-(1->4)]hexopyranoside

  • Molecular FormulaC45H72O17
  • Average mass885.043 Da
  • Monoisotopic mass884.476929 Da
  • ChemSpider ID355603

  • defined stereocentres - 8 of 26 defined stereocentres

More details:

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

(3β,16ξ,17ξ)-Spirost-5-en-3-yl 6-deoxyhexopyranosyl-(1->2)-[hexopyranosyl-(1->4)]hexopyranoside [ACD/IUPAC Name]
(3β,16ξ,17ξ)-Spirost-5-en-3-yl6-desoxyhexopyranosyl-(1->2)-[hexopyranosyl-(1->4)]hexopyranosid [German] [ACD/IUPAC Name]
6-Désoxyhexopyranosyl-(1->2)-[hexopyranosyl-(1->4)]hexopyranoside de (3β,16ξ,17ξ)-spirost-5-én-3-yle [French] [ACD/IUPAC Name]
Hexopyranoside, (3β,16ξ,17ξ)-spirost-5-en-3-yl O--6-deoxyhexopyranosyl-(1->2)-O-[hexopyranosyl-(1->4)]- [ACD/Index Name]
Weltonin

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

NCI60_039695 [DBID]
NSC714608 [DBID]

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: 4.24
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 175.94
ACD/KOC (pH 5.5): 1407.85
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 175.94
ACD/KOC (pH 7.4): 1407.84
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


Advertisement