ChemSpider 2D Image | 4-O-(2,23,28-Trihydroxy-29-methoxy-28,29-dioxoolean-12-en-3-yl)pentopyranosyl hexopyranoside | C42H66O16

4-O-(2,23,28-Trihydroxy-29-methoxy-28,29-dioxoolean-12-en-3-yl)pentopyranosyl hexopyranoside

  • Molecular FormulaC42H66O16
  • Average mass826.964 Da
  • Monoisotopic mass826.435059 Da
  • ChemSpider ID111446

More details:

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

4-O-(2,23,28-Trihydroxy-29-methoxy-28,29-dioxoolean-12-en-3-yl)pentopyranosyl hexopyranoside [ACD/IUPAC Name]
4-O-(2,23,28-Trihydroxy-29-methoxy-28,29-dioxoolean-12-en-3-yl)pentopyranosylhexopyranosid [German] [ACD/IUPAC Name]
Hexopyranoside de 4-O-(2,23,28-trihydroxy-29-méthoxy-28,29-dioxooléan-12-én-3-yl)pentopyranosyle [French] [ACD/IUPAC Name]
Hexopyranoside, 4-O-(2,23,28-trihydroxy-29-methoxy-28,29-dioxoolean-12-en-3-yl)pentopyranosyl [ACD/Index Name]
65497-07-6 [RN]
esculentoside A
Phytolaccasaponin E
Phytolaccoside E

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

Density: 1.4±0.1 g/cm3
Boiling Point: 936.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 154.6±6.0 kJ/mol
Flash Point: 275.3±27.8 °C
Index of Refraction: 1.620
Molar Refractivity: 204.4±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 6.89
ACD/KOC (pH 5.5): 65.85
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.05
Polar Surface Area: 262 Å2
Polarizability: 81.0±0.5 10-24cm3
Surface Tension: 73.5±5.0 dyne/cm
Molar Volume: 582.2±5.0 cm3

Click to predict properties on the Chemicalize site


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