ChemSpider 2D Image | (1S,4aS,7S,7aS)-1-(beta-D-Glucopyranosyloxy)-4-(methoxycarbonyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-carboxylic acid | C17H24O11

(1S,4aS,7S,7aS)-1-(β-D-Glucopyranosyloxy)-4-(methoxycarbonyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-carboxylic acid

  • Molecular FormulaC17H24O11
  • Average mass404.366 Da
  • Monoisotopic mass404.131866 Da
  • ChemSpider ID22912987

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,4aS,7S,7aS)-1-(β-D-Glucopyranosyloxy)-4-(methoxycarbonyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-carbonsäure [German] [ACD/IUPAC Name]
(1S,4aS,7S,7aS)-1-(β-D-Glucopyranosyloxy)-4-(methoxycarbonyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-carboxylic acid [ACD/IUPAC Name]
Acide (1S,4aS,7S,7aS)-1-(β-D-glucopyranosyloxy)-4-(méthoxycarbonyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyrane-7-carboxylique [French] [ACD/IUPAC Name]
Cyclopenta[c]pyran-4,7-dicarboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-, 4-methyl ester, (1S,4aS,7S,7aS)- [ACD/Index Name]
(1S)-1α-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydrocyclopenta[c]pyran-4,7α-dicarboxylic acid 4-methyl ester
(1S,4aS,7S,7aS)-4-methoxycarbonyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-carboxylic acid
11-Methylforsythide
159598-00-2 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 662.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±6.0 kJ/mol
Flash Point: 238.3±25.0 °C
Index of Refraction: 1.612
Molar Refractivity: 89.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.53
ACD/LogD (pH 5.5): -3.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 172 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 79.5±5.0 dyne/cm
Molar Volume: 256.1±5.0 cm3

Click to predict properties on the Chemicalize site


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