ChemSpider 2D Image | (3beta,18alpha)-28-Hydroxy-23,28-dioxoolean-12-en-3-yl alpha-D-galactopyranosiduronic acid | C36H54O10

(3β,18α)-28-Hydroxy-23,28-dioxoolean-12-en-3-yl α-D-galactopyranosiduronic acid

  • Molecular FormulaC36H54O10
  • Average mass646.808 Da
  • Monoisotopic mass646.371704 Da
  • ChemSpider ID552253

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β,18α)-28-Hydroxy-23,28-dioxoolean-12-en-3-yl α-D-galactopyranosiduronic acid [ACD/IUPAC Name]
(3β,18α)-28-Hydroxy-23,28-dioxoolean-12-en-3-yl-α-D-galactopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide α-D-galactopyranosiduronique de (3β,18α)-28-hydroxy-23,28-dioxooléan-12-én-3-yle [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-(α-D-galactopyranuronosyloxy)-23-oxo-, (3β,18α)- [ACD/Index Name]
(2S,3R,4S,5R,6S)-6-{[(3S,4S,4AR,6AR,6BS,8AS,12AR,14AR,14BR)-8A-CARBOXY-4-FORMYL-4,6A,6B,11,11,14B-HEXAMETHYL-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,14,14A,14B-ICOSAHYDROPICEN-3-YL]OXY}-3,4,5-TRIHYDROXYOXANE-2-CARBOXYLIC ACID
(2S,3R,4S,5R,6S)-6-{[(3S,4S,4AR,6AR,6BS,8AS,12AR,14AR,14BR)-8A-CARBOXY-4-FORMYL-4,6A,6B,11,11,14B-HEXAMETHYL-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-TETRADECAHYDROPICEN-3-YL]OXY}-3,4,5-TRIHYDROXYOXANE-2-CARBOXYLIC ACID
(3β,5ξ,9ξ,18ξ)-28-Hydroxy-23,28-dioxoolean-12-en-3-yl hexopyranosiduronic acid
105762-16-1 [RN]
6-(8a-carboxy-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-eicosahydro-picen-3-yloxy)-3,4,5-trihydroxy-tetrahydro-pyran-2-carboxylic acid
b-D-Glucopyranosiduronic acid, (3b,4a)-17-carboxy-23-oxo-28-norolean-12-en-3-yl
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 777.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.1±6.0 kJ/mol
Flash Point: 238.1±26.4 °C
Index of Refraction: 1.597
Molar Refractivity: 167.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 3.62
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 492.7±5.0 cm3

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