ChemSpider 2D Image | (2S,3S)-4-Methylene-5-oxo-2-[(14R)-14-{[6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranosyl]oxy}pentadecyl]tetrahydro-3-furancarboxylic acid | C32H54O14

(2S,3S)-4-Methylene-5-oxo-2-[(14R)-14-{[6-O-(β-D-xylopyranosyl)-β-D-glucopyranosyl]oxy}pentadecyl]tetrahydro-3-furancarboxylic acid

  • Molecular FormulaC32H54O14
  • Average mass662.763 Da
  • Monoisotopic mass662.351379 Da
  • ChemSpider ID78439636

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2S,3S)-4-Methylen-5-oxo-2-[(14R)-14-{[6-O-(β-D-xylopyranosyl)-β-D-glucopyranosyl]oxy}pentadecyl]tetrahydro-3-furancarbonsäure [German] [ACD/IUPAC Name]
(2S,3S)-4-Methylene-5-oxo-2-[(14R)-14-{[6-O-(β-D-xylopyranosyl)-β-D-glucopyranosyl]oxy}pentadecyl]tetrahydro-3-furancarboxylic acid [ACD/IUPAC Name]
3-Furancarboxylic acid, tetrahydro-4-methylene-5-oxo-2-[(14R)-14-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]pentadecyl]-, (2S,3S)- [ACD/Index Name]
Acide (2S,3S)-4-méthylène-5-oxo-2-[(14R)-14-{[6-O-(β-D-xylopyranosyl)-β-D-glucopyranosyl]oxy}pentadécyl]tétrahydro-3-furanecarboxylique [French] [ACD/IUPAC Name]
(18R)-18-O- 1-b-xylopyranosyl-(1-6)-b-D-glucopyranoside

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

Density: 1.3±0.1 g/cm3
Boiling Point: 864.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.7±6.0 kJ/mol
Flash Point: 267.7±27.8 °C
Index of Refraction: 1.564
Molar Refractivity: 163.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 4
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.38
ACD/LogD (pH 7.4): -1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 222 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 501.5±5.0 cm3

Click to predict properties on the Chemicalize site


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