ChemSpider 2D Image | (1R,4aR,5S,7R,7aS)-4a,5,7-Trihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl 6-O-[(2E)-3-phenyl-2-propenoyl]-beta-L-glucopyranoside | C24H30O11

(1R,4aR,5S,7R,7aS)-4a,5,7-Trihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl 6-O-[(2E)-3-phenyl-2-propenoyl]-β-L-glucopyranoside

  • Molecular FormulaC24H30O11
  • Average mass494.488 Da
  • Monoisotopic mass494.178802 Da
  • ChemSpider ID82965989

  • 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

(1R,4aR,5S,7R,7aS)-4a,5,7-Trihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl 6-O-[(2E)-3-phenyl-2-propenoyl]-β-L-glucopyranoside [ACD/IUPAC Name]
(1R,4aR,5S,7R,7aS)-4a,5,7-Trihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl-6-O-[(2E)-3-phenyl-2-propenoyl]-β-L-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(2E)-3-Phényl-2-propenoyl]-β-L-glucopyranoside de (1R,4aR,5S,7R,7aS)-4a,5,7-trihydroxy-7-méthyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yle [French] [ACD/IUPAC Name]
β-L-Glucopyranoside, (1R,4aR,5S,7R,7aS)-1,4a,5,6,7,7a-hexahydro-4a,5,7-trihydroxy-7-methylcyclopenta[c]pyran-1-yl 6-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]- [ACD/Index Name]
[(2S,3R,4R,5S,6R)-6-[[(1R,4Ar,5S,7R,7aS)-4a,5,7-trihydroxy-7-methyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate
1245572-24-0 [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: 750.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 255.3±26.4 °C
Index of Refraction: 1.660
Molar Refractivity: 119.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.26
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.63
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.63
Polar Surface Area: 175 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 81.6±5.0 dyne/cm
Molar Volume: 324.9±5.0 cm3

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