ChemSpider 2D Image | 3'-O-ACETYLCIMICIFUGOSIDE H1 | C37H54O10

3'-O-ACETYLCIMICIFUGOSIDE H1

  • Molecular FormulaC37H54O10
  • Average mass658.819 Da
  • Monoisotopic mass658.371704 Da
  • ChemSpider ID52084381

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β,9β,11β,24R)-11-Hydroxy-16,23-dioxo-24,25-epoxy-9,19-cyclolanost-7-en-3-yl 3-O-acetyl-β-D-xylopyranoside [ACD/IUPAC Name]
(3β,9β,11β,24R)-11-Hydroxy-16,23-dioxo-24,25-epoxy-9,19-cyclolanost-7-en-3-yl-3-O-acetyl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
3'-O-ACETYLCIMICIFUGOSIDE H1
3-O-Acétyl-β-D-xylopyranoside de (3β,9β,11β,24R)-11-hydroxy-16,23-dioxo-24,25-époxy-9,19-cyclolanost-7-én-3-yle [French] [ACD/IUPAC Name]
9,19-Cyclolanost-7-ene-16,23-dione, 3-[(3-O-acetyl-β-D-xylopyranosyl)oxy]-24,25-epoxy-11-hydroxy-, (3β,9β,11β,24R)- [ACD/Index Name]
903872-35-5 [RN]

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

93313JCR38 [DBID]
UNII:93313JCR38 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 761.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.5±6.0 kJ/mol
Flash Point: 231.7±26.4 °C
Index of Refraction: 1.586
Molar Refractivity: 170.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.94
ACD/KOC (pH 5.5): 836.48
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 84.94
ACD/KOC (pH 7.4): 836.47
Polar Surface Area: 152 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 507.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement