ChemSpider 2D Image | (4R,5S,6S,7R,9R,11E,13E,15R,16R)-16-Ethyl-4-hydroxy-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl 6-deoxy-3-O-methyl-beta-D-glucopyranoside | C30H48O11

(4R,5S,6S,7R,9R,11E,13E,15R,16R)-16-Ethyl-4-hydroxy-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl 6-deoxy-3-O-methyl-β-D-glucopyranoside

  • Molecular FormulaC30H48O11
  • Average mass584.695 Da
  • Monoisotopic mass584.319641 Da
  • ChemSpider ID8897385

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(4R,5S,6S,7R,9R,11E,13E,15R,16R)-16-Ethyl-4-hydroxy-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl 6-deoxy-3-O-methyl-β-D-glucopyranoside [ACD/IUPAC Name]
(4R,5S,6S,7R,9R,11E,13E,15R,16R)-16-Ethyl-4-hydroxy-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl-6-desoxy-3-O-methyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-3-O-méthyl-β-D-glucopyranoside de (4R,5S,6S,7R,9R,11E,13E,15R,16R)-16-éthyl-4-hydroxy-15-(hydroxyméthyl)-5,9,13-triméthyl-2,10-dioxo-7-(2-oxoéthyl)oxacyclohexadéca-11,13-dién-6-yle [French] [ACD/IUPAC Name]
Oxacyclohexadeca-11,13-diene-7-acetaldehyde, 6-[(6-deoxy-3-O-methyl-β-D-glucopyranosyl)oxy]-16-ethyl-4-hydroxy-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-, (4R,5S,6S,7R,9R,11E,13E,15R,16R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 792.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.4±6.0 kJ/mol
Flash Point: 250.1±26.4 °C
Index of Refraction: 1.538
Molar Refractivity: 149.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.99
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.31
ACD/KOC (pH 5.5): 115.02
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.31
ACD/KOC (pH 7.4): 115.02
Polar Surface Area: 169 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 479.0±5.0 cm3

Click to predict properties on the Chemicalize site


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