ChemSpider 2D Image | 2-Hydroxylup-20(29)-en-3-yl 2-O-hexopyranosylhexopyranoside | C42H70O12

2-Hydroxylup-20(29)-en-3-yl 2-O-hexopyranosylhexopyranoside

  • Molecular FormulaC42H70O12
  • Average mass766.998 Da
  • Monoisotopic mass766.486755 Da
  • ChemSpider ID95638426

More details:






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

2-Hydroxylup-20(29)-en-3-yl 2-O-hexopyranosylhexopyranoside [ACD/IUPAC Name]
2-Hydroxylup-20(29)-en-3-yl-2-O-hexopyranosylhexopyranosid [German] [ACD/IUPAC Name]
2-O-Hexopyranosylhexopyranoside de 2-hydroxylup-20(29)-én-3-yle [French] [ACD/IUPAC Name]
Hexopyranoside, 2-hydroxylup-20(29)-en-3-yl 2-O-hexopyranosyl- [ACD/Index Name]
140231-39-6 [RN]
2-[4,5-Dihydroxy-2-[(10-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl)oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Leucasin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 850.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.5±6.0 kJ/mol
Flash Point: 468.2±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 200.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 7.43
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 6413.79
ACD/KOC (pH 5.5): 18480.96
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 6413.72
ACD/KOC (pH 7.4): 18480.74
Polar Surface Area: 199 Å2
Polarizability: 79.6±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 589.3±5.0 cm3

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