ChemSpider 2D Image | (3beta)-3-{[2-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}lup-20(29)-en-28-oic acid | C42H68O13

(3β)-3-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}lup-20(29)-en-28-oic acid

  • Molecular FormulaC42H68O13
  • Average mass780.982 Da
  • Monoisotopic mass780.466003 Da
  • ChemSpider ID116532

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

(3β)-3-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}lup-20(29)-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}lup-20(29)-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-{[2-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}lup-20(29)-én-28-oïque [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-, (3β)- [ACD/Index Name]
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
(3β)-3-((2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy)lup-20(29)-en-28-oic acid
135757-66-3 [RN]
3-((2-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy)lup-20(29)-en-28-oic acid (3β)-
LUP-20(29)-EN-28-OIC ACID 3-((2-O-SS-D-GLUCOPYRANOSYL-SS-D-GLUCOPYRANOSYL)OXY)-,(3SS)-
Lup-20(29)-en-28-oic acid, 3-((2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy)-, (3β)-
More...

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

Density: 1.3±0.1 g/cm3
Boiling Point: 880.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.4±6.0 kJ/mol
Flash Point: 258.3±27.8 °C
Index of Refraction: 1.602
Molar Refractivity: 200.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 6.68
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 401.82
ACD/KOC (pH 5.5): 1371.53
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 6.32
ACD/KOC (pH 7.4): 21.56
Polar Surface Area: 216 Å2
Polarizability: 79.6±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 585.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement