Found 1 result

Search term: 121686-42-8 (Found by approved synonym)
ChemSpider 2D Image | MFCD07779149 | C36H58O12

MFCD07779149

  • Molecular FormulaC36H58O12
  • Average mass682.839 Da
  • Monoisotopic mass682.392822 Da
  • ChemSpider ID28536210

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(3β,16β,21β,22α)-16,21,22,23,28-Pentahydroxyolean-12-en-3-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β,16β,21β,22α)-16,21,22,23,28-Pentahydroxyolean-12-en-3-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
(3β,4α,16β-21β,22α)-16,21,22,23,28-Pentahydroxyolean-12-en-3-yl β-D-glucopyranosiduronic acid
121686-42-8 [RN]
3-O-β-D-Glucuronopyranosyl gymnemagenin
Acide β-D-glucopyranosiduronique de (3β,16β,21β,22α)-16,21,22,23,28-pentahydroxyoléan-12-én-3-yle [French] [ACD/IUPAC Name]
Deacylgymnemic acid
MFCD07779149
β-D-Glucopyranosiduronic acid, (3β,16β,21β,22α)-16,21,22,23,28-pentahydroxyolean-12-en-3-yl [ACD/Index Name]
(2S,3S,4S,5R,6R)-6-[[(3S,4R,4Ar,6aR,6bS,8S,8aR,9R,10R,12aS,14aR,14bR)-8,9,10-trihydroxy-4,8a-bis(hydroxymethyl)-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
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point: 826.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.7±6.0 kJ/mol
Flash Point: 252.0±27.8 °C
Index of Refraction: 1.626
Molar Refractivity: 173.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 1.99
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 218 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 73.1±5.0 dyne/cm
Molar Volume: 489.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement