ChemSpider 2D Image | (24E)-3,12,26-Trihydroxydammar-24-en-20-yl 6-O-alpha-D-xylopyranosyl-beta-D-allopyranoside | C41H70O13

(24E)-3,12,26-Trihydroxydammar-24-en-20-yl 6-O-α-D-xylopyranosyl-β-D-allopyranoside

  • Molecular FormulaC41H70O13
  • Average mass770.987 Da
  • Monoisotopic mass770.481628 Da
  • ChemSpider ID10142396

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 19 defined stereocentres

More details:

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

(24E)-3,12,26-Trihydroxydammar-24-en-20-yl 6-O-α-D-xylopyranosyl-β-D-allopyranoside [ACD/IUPAC Name]
(24E)-3,12,26-Trihydroxydammar-24-en-20-yl-6-O-α-D-xylopyranosyl-β-D-allopyranosid [German] [ACD/IUPAC Name]
6-O-α-D-Xylopyranosyl-β-D-allopyranoside de (24E)-3,12,26-trihydroxydammar-24-én-20-yle [French] [ACD/IUPAC Name]
β-D-Allopyranoside, (24E)-3,12,26-trihydroxydammar-24-en-20-yl 6-O-α-D-xylopyranosyl- [ACD/Index Name]
Gypenoside XXI

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

Density: 1.3±0.1 g/cm3
Boiling Point: 884.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.0±6.0 kJ/mol
Flash Point: 488.5±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 199.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 5.71
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 278.79
ACD/KOC (pH 5.5): 1957.29
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 278.79
ACD/KOC (pH 7.4): 1957.28
Polar Surface Area: 219 Å2
Polarizability: 79.2±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 586.1±5.0 cm3

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