ChemSpider 2D Image | (9xi)-2-Hydroxylup-20(29)-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C42H70O12

(9ξ)-2-Hydroxylup-20(29)-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC42H70O12
  • Average mass766.998 Da
  • Monoisotopic mass766.486755 Da
  • ChemSpider ID2340558

  • defined stereocentres - 18 of 21 defined stereocentres

More details:

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

(9ξ)-2-Hydroxylup-20(29)-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(9ξ)-2-Hydroxylup-20(29)-en-3-yl-2-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (9ξ)-2-hydroxylup-20(29)-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (9ξ)-2-hydroxylup-20(29)-en-3-yl 2-O-β-D-glucopyranosyl- [ACD/Index Name]
140231-39-6 [RN]
3-O-(β-D-Glucopyranosyl(1-2)β-D-glucopyranosyl)-2α,3β-dihydroxylup-20(29)-ene
Leucasin
β-D-Glucopyranoside, (2α,3β)-2-hydroxylup-20(29)-3-yl 2-O-β-D-glucopyranosyl-

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

Click to predict properties on the Chemicalize site


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