ChemSpider 2D Image | (3Z,5E,8S,9Z,11Z,14S,16R,17E,19E,24R)-14-Hydroxy-16-methoxy-24-methyl-2-oxooxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl beta-D-glucopyranoside | C31H46O10

(3Z,5E,8S,9Z,11Z,14S,16R,17E,19E,24R)-14-Hydroxy-16-methoxy-24-methyl-2-oxooxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl β-D-glucopyranoside

  • Molecular FormulaC31H46O10
  • Average mass578.691 Da
  • Monoisotopic mass578.309082 Da
  • ChemSpider ID29215494

  • 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

(3Z,5E,8S,9Z,11Z,14S,16R,17E,19E,24R)-14-Hydroxy-16-methoxy-24-methyl-2-oxooxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3Z,5E,8S,9Z,11Z,14S,16R,17E,19E,24R)-14-Hydroxy-16-methoxy-24-methyl-2-oxooxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one, 8-(β-D-glucopyranosyloxy)-14-hydroxy-16-methoxy-24-methyl-, (3Z,5E,8S,9Z,11Z,14S,16R,17E,19E,24R)- [ACD/Index Name]
β-D-Glucopyranoside de (3Z,5E,8S,9Z,11Z,14S,16R,17E,19E,24R)-14-hydroxy-16-méthoxy-24-méthyl-2-oxooxacyclotétracosa-3,5,9,11,17,19-hexaén-8-yle [French] [ACD/IUPAC 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: 801.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.8±6.0 kJ/mol
Flash Point: 253.4±27.8 °C
Index of Refraction: 1.576
Molar Refractivity: 155.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.29
ACD/KOC (pH 5.5): 158.17
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.29
ACD/KOC (pH 7.4): 158.16
Polar Surface Area: 155 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 470.2±5.0 cm3

Click to predict properties on the Chemicalize site


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