ChemSpider 2D Image | (3Z,5E,8S,9E,11Z,14S,19E,24R)-14-Hydroxy-24-methyl-2,16-dioxooxacyclotetracosa-3,5,9,11,19-pentaen-8-yl beta-L-glucopyranoside | C30H44O10

(3Z,5E,8S,9E,11Z,14S,19E,24R)-14-Hydroxy-24-methyl-2,16-dioxooxacyclotetracosa-3,5,9,11,19-pentaen-8-yl β-L-glucopyranoside

  • Molecular FormulaC30H44O10
  • Average mass564.664 Da
  • Monoisotopic mass564.293457 Da
  • ChemSpider ID23310170

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3Z,5E,8S,9E,11Z,14S,19E,24R)-14-Hydroxy-24-methyl-2,16-dioxooxacyclotetracosa-3,5,9,11,19-pentaen-8-yl β-L-glucopyranoside [ACD/IUPAC Name]
(3Z,5E,8S,9E,11Z,14S,19E,24R)-14-Hydroxy-24-methyl-2,16-dioxooxacyclotetracosa-3,5,9,11,19-pentaen-8-yl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
Oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione, 8-(β-L-glucopyranosyloxy)-14-hydroxy-24-methyl-, (3Z,5E,8S,9E,11Z,14S,19E,24R)- [ACD/Index Name]
β-L-Glucopyranoside de (3Z,5E,8S,9E,11Z,14S,19E,24R)-14-hydroxy-24-méthyl-2,16-dioxooxacyclotétracosa-3,5,9,11,19-pentaén-8-yle [French] [ACD/IUPAC Name]
CHEMBL399664
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL399664/
macrolactin O

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

Density: 1.3±0.1 g/cm3
Boiling Point: 813.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.6±6.0 kJ/mol
Flash Point: 259.8±27.8 °C
Index of Refraction: 1.577
Molar Refractivity: 149.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 0.97
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.22
ACD/KOC (pH 5.5): 97.62
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.22
ACD/KOC (pH 7.4): 97.62
Polar Surface Area: 163 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 59.2±5.0 dyne/cm
Molar Volume: 451.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement