ChemSpider 2D Image | (3beta,5alpha,6alpha,15beta,22E,24R,25S)-3,6,15-Trihydroxyergosta-8(14),22-dien-26-yl 2-O-(2-O-methyl-beta-D-xylopyranosyl)-beta-D-xylopyranoside | C39H64O12

(3β,5α,6α,15β,22E,24R,25S)-3,6,15-Trihydroxyergosta-8(14),22-dien-26-yl 2-O-(2-O-methyl-β-D-xylopyranosyl)-β-D-xylopyranoside

  • Molecular FormulaC39H64O12
  • Average mass724.918 Da
  • Monoisotopic mass724.439758 Da
  • ChemSpider ID23327015

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 19 of 19 defined stereocentres

More details:

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

(3β,5α,6α,15β,22E,24R,25S)-3,6,15-Trihydroxyergosta-8(14),22-dien-26-yl 2-O-(2-O-methyl-β-D-xylopyranosyl)-β-D-xylopyranoside [ACD/IUPAC Name]
(3β,5α,6α,15β,22E,24R,25S)-3,6,15-Trihydroxyergosta-8(14),22-dien-26-yl-2-O-(2-O-methyl-β-D-xylopyranosyl)-β-D-xylopyranosid [German] [ACD/IUPAC Name]
2-O-(2-O-Méthyl-β-D-xylopyranosyl)-β-D-xylopyranoside de (3β,5α,6α,15β,22E,24R,25S)-3,6,15-trihydroxyergosta-8(14),22-dién-26-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (3β,5α,6α,15β,22E,24R,25S)-3,6,15-trihydroxyergosta-8(14),22-dien-26-yl 2-O-(2-O-methyl-β-D-xylopyranosyl)- [ACD/Index Name]
acodontasteroside H

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 854.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.2±6.0 kJ/mol
Flash Point: 470.9±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 188.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 739.38
ACD/KOC (pH 5.5): 3936.74
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 739.37
ACD/KOC (pH 7.4): 3936.71
Polar Surface Area: 188 Å2
Polarizability: 74.9±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 558.8±5.0 cm3

Click to predict properties on the Chemicalize site


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