ChemSpider 2D Image | (3beta,6alpha,8xi,9beta,16beta,17xi,20R,24S)-16,25-Dihydroxy-3-[(2-O-pentopyranosylpentopyranosyl)oxy]-20,24-epoxy-9,19-cyclolanostan-6-yl pentopyranoside | C45H74O17

(3β,6α,8ξ,9β,16β,17ξ,20R,24S)-16,25-Dihydroxy-3-[(2-O-pentopyranosylpentopyranosyl)oxy]-20,24-epoxy-9,19-cyclolanostan-6-yl pentopyranoside

  • Molecular FormulaC45H74O17
  • Average mass887.059 Da
  • Monoisotopic mass886.492615 Da
  • ChemSpider ID345806

  • defined stereocentres - 10 of 24 defined stereocentres

More details:

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

(3β,6α,8ξ,9β,16β,17ξ,20R,24S)-16,25-Dihydroxy-3-[(2-O-pentopyranosylpentopyranosyl)oxy]-20,24-epoxy-9,19-cyclolanostan-6-yl pentopyranoside [ACD/IUPAC Name]
(3β,6α,8ξ,9β,16β,17ξ,20R,24S)-16,25-Dihydroxy-3-[(2-O-pentopyranosylpentopyranosyl)oxy]-20,24-epoxy-9,19-cyclolanostan-6-ylpentopyranosid [German] [ACD/IUPAC Name]
Pentopyranoside de (3β,6α,8ξ,9β,16β,17ξ,20R,24S)-16,25-dihydroxy-3-[(2-O-pentopyranosylpentopyranosyl)oxy]-20,24-époxy-9,19-cyclolanostan-6-yle [French] [ACD/IUPAC Name]
Pentopyranoside, (3β,6α,8ξ,9β,16β,17ξ,20R,24S)-20,24-epoxy-16,25-dihydroxy-3-[(2-O-pentopyranosylpentopyranosyl)oxy]-9,19-cyclolanostan-6-yl [ACD/Index Name]
Trigonoside II

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

NCI60_031407 [DBID]
NSC687161 [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: 1.627
Molar Refractivity: 219.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.41
ACD/KOC (pH 5.5): 198.63
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.41
ACD/KOC (pH 7.4): 198.63
Polar Surface Area: 267 Å2
Polarizability: 86.9±0.5 10-24cm3
Surface Tension: 74.3±5.0 dyne/cm
Molar Volume: 618.3±5.0 cm3

Click to predict properties on the Chemicalize site


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