ChemSpider 2D Image | 1-O-(4-{[(3Z,5E,8S,9E,11Z,14S,16R,17E,19Z,24S)-14,16-Dihydroxy-24-methyl-2-oxooxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy}-4-oxobutanoyl)-beta-L-glucopyranose | C34H48O13

1-O-(4-{[(3Z,5E,8S,9E,11Z,14S,16R,17E,19Z,24S)-14,16-Dihydroxy-24-methyl-2-oxooxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy}-4-oxobutanoyl)-β-L-glucopyranose

  • Molecular FormulaC34H48O13
  • Average mass664.737 Da
  • Monoisotopic mass664.309509 Da
  • ChemSpider ID26339114
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres


More details:






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

1-O-(4-{[(3Z,5E,8S,9E,11Z,14S,16R,17E,19Z,24S)-14,16-Dihydroxy-24-methyl-2-oxooxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy}-4-oxobutanoyl)-β-L-glucopyranose [German] [ACD/IUPAC Name]
1-O-(4-{[(3Z,5E,8S,9E,11Z,14S,16R,17E,19Z,24S)-14,16-Dihydroxy-24-methyl-2-oxooxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy}-4-oxobutanoyl)-β-L-glucopyranose [ACD/IUPAC Name]
1-O-(4-{[(3Z,5E,8S,9E,11Z,14S,16R,17E,19Z,24S)-14,16-Dihydroxy-24-méthyl-2-oxooxacyclotétracosa-3,5,9,11,17,19-hexaén-8-yl]oxy}-4-oxobutanoyl)-β-L-glucopyranose [French] [ACD/IUPAC Name]
β-L-Glucopyranose, 1-O-[4-[[(3Z,5E,8S,9E,11Z,14S,16R,17E,19Z,24S)-14,16-dihydroxy-24-methyl-2-oxooxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-1,4-dioxobutyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 870.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.8±6.0 kJ/mol
Flash Point: 268.9±27.8 °C
Index of Refraction: 1.588
Molar Refractivity: 171.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.55
ACD/KOC (pH 5.5): 161.63
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.55
ACD/KOC (pH 7.4): 161.63
Polar Surface Area: 210 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 508.9±5.0 cm3

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