ChemSpider 2D Image | (1R,2E,6S,10E,11aS,13S,14aR)-1-Hydroxy-6-methyl-4-oxo-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecin-13-yl beta-D-galactopyranoside | C22H34O9

(1R,2E,6S,10E,11aS,13S,14aR)-1-Hydroxy-6-methyl-4-oxo-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecin-13-yl β-D-galactopyranoside

  • Molecular FormulaC22H34O9
  • Average mass442.500 Da
  • Monoisotopic mass442.220276 Da
  • ChemSpider ID24717163

  • 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,2E,6S,10E,11aS,13S,14aR)-1-Hydroxy-6-methyl-4-oxo-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecin-13-yl β-D-galactopyranoside [ACD/IUPAC Name]
(1R,2E,6S,10E,11aS,13S,14aR)-1-Hydroxy-6-methyl-4-oxo-1,6,7,8,9,11a,12,13,14,14a-decahydro-4H-cyclopenta[f]oxacyclotridecin-13-yl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
4H-Cyclopent[f]oxacyclotridecin-4-one, 13-(β-D-galactopyranosyloxy)-1,6,7,8,9,11a,12,13,14,14a-decahydro-1-hydroxy-6-methyl-, (1R,2E,6S,10E,11aS,13S,14aR)- [ACD/Index Name]
β-D-Galactopyranoside de (1R,2E,6S,10E,11aS,13S,14aR)-1-hydroxy-6-méthyl-4-oxo-1,6,7,8,9,11a,12,13,14,14a-décahydro-4H-cyclopenta[f]oxacyclotridécin-13-yle [French] [ACD/IUPAC Name]
7-O-β-D-Galactosyl-brefeldin A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL517852/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 696.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.6±6.0 kJ/mol
Flash Point: 238.6±25.0 °C
Index of Refraction: 1.588
Molar Refractivity: 110.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.48
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.69
ACD/LogD (pH 7.4): -0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.69
Polar Surface Area: 146 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 328.0±5.0 cm3

Click to predict properties on the Chemicalize site


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