ChemSpider 2D Image | (1S,4aS,6R,7S,7aS)-4-Formyl-1-(beta-D-glucopyranosyloxy)-4a-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-yl (2E)-3-phenylacrylate | C25H30O11

(1S,4aS,6R,7S,7aS)-4-Formyl-1-(β-D-glucopyranosyloxy)-4a-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-yl (2E)-3-phenylacrylate

  • Molecular FormulaC25H30O11
  • Average mass506.499 Da
  • Monoisotopic mass506.178802 Da
  • ChemSpider ID4944956

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,4aS,6R,7S,7aS)-4-Formyl-1-(β-D-glucopyranosyloxy)-4a-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-yl (2E)-3-phenylacrylate [ACD/IUPAC Name]
(1S,4aS,6R,7S,7aS)-4-Formyl-1-(β-D-glucopyranosyloxy)-4a-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-yl-(2E)-3-phenylacrylat [German] [ACD/IUPAC Name]
(2E)-3-Phénylacrylate de (1S,4aS,6R,7S,7aS)-4-formyl-1-(β-D-glucopyranosyloxy)-4a-hydroxy-7-méthyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-yle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-phenyl-, (1S,4aS,6R,7S,7aS)-4-formyl-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methylcyclopenta[c]pyran-6-yl ester, (2E)- [ACD/Index Name]
2-Propenoic acid, 3-phenyl-, 4-formyl-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methylcyclopenta(c)pyran-6-yl ester, (1S-(1α,4aα,6α,7α,7aα))-
82597-77-1 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 736.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 248.2±26.4 °C
Index of Refraction: 1.642
Molar Refractivity: 123.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -0.23
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.17
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.16
Polar Surface Area: 172 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 76.1±5.0 dyne/cm
Molar Volume: 340.7±5.0 cm3

Click to predict properties on the Chemicalize site


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