ChemSpider 2D Image | (1S,4aS,7aR)-4a-({6-Deoxy-2-O-[(2E)-3-phenyl-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-7-methyl-5-oxo-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl beta-D-glucopyranoside | C30H36O14

(1S,4aS,7aR)-4a-({6-Deoxy-2-O-[(2E)-3-phenyl-2-propenoyl]-α-L-mannopyranosyl}oxy)-7-methyl-5-oxo-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl β-D-glucopyranoside

  • Molecular FormulaC30H36O14
  • Average mass620.598 Da
  • Monoisotopic mass620.210510 Da
  • ChemSpider ID29814266

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(1S,4aS,7aR)-4a-({6-Deoxy-2-O-[(2E)-3-phenyl-2-propenoyl]-α-L-mannopyranosyl}oxy)-7-methyl-5-oxo-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,4aS,7aR)-4a-({6-Desoxy-2-O-[(2E)-3-phenyl-2-propenoyl]-α-L-mannopyranosyl}oxy)-7-methyl-5-oxo-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Cyclopenta[c]pyran-5(1H)-one, 4a-[[6-deoxy-2-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-α-L-mannopyranosyl]oxy]-1-(β-D-glucopyranosyloxy)-4a,7a-dihydro-7-methyl-, (1S,4aS,7aR)- [ACD/Index Name]
β-D-Glucopyranoside de (1S,4aS,7aR)-4a-({6-désoxy-2-O-[(2E)-3-phényl-2-propenoyl]-α-L-mannopyranosyl}oxy)-7-méthyl-5-oxo-1,4a,5,7a-tétrahydrocyclopenta[c]pyran-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 865.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.7±3.0 kJ/mol
Flash Point: 280.3±27.8 °C
Index of Refraction: 1.654
Molar Refractivity: 148.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.16
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.38
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.38
Polar Surface Area: 211 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 79.4±5.0 dyne/cm
Molar Volume: 406.3±5.0 cm3

Click to predict properties on the Chemicalize site


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