ChemSpider 2D Image | (2S,3S)-2-[(14R)-14-{[Hexopyranosyl-(1->2)-[hexopyranosyl-(1->6)]hexopyranosyl]oxy}pentadecyl]-4-methylene-5-oxotetrahydro-3-furancarboxylic acid | C39H66O20

(2S,3S)-2-[(14R)-14-{[Hexopyranosyl-(1->2)-[hexopyranosyl-(1->6)]hexopyranosyl]oxy}pentadecyl]-4-methylene-5-oxotetrahydro-3-furancarboxylic acid

  • Molecular FormulaC39H66O20
  • Average mass854.929 Da
  • Monoisotopic mass854.414734 Da
  • ChemSpider ID78445393

  • defined stereocentres - 3 of 18 defined stereocentres

More details:

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

(2S,3S)-2-[(14R)-14-{[Hexopyranosyl-(1->2)-[hexopyranosyl-(1->6)]hexopyranosyl]oxy}pentadecyl]-4-methylen-5-oxotetrahydro-3-furancarbonsäure [German] [ACD/IUPAC Name]
(2S,3S)-2-[(14R)-14-{[Hexopyranosyl-(1->2)-[hexopyranosyl-(1->6)]hexopyranosyl]oxy}pentadecyl]-4-methylene-5-oxotetrahydro-3-furancarboxylic acid [ACD/IUPAC Name]
3-Furancarboxylic acid, 2-[(14R)-14-[[O-hexopyranosyl-(1->2)-O-[hexopyranosyl-(1->6)]hexopyranosyl]oxy]pentadecyl]tetrahydro-4-methylene-5-oxo-, (2S,3S)- [ACD/Index Name]
Acide (2S,3S)-2-[(14R)-14-{[hexopyranosyl-(1->2)-[hexopyranosyl-(1->6)]hexopyranosyl]oxy}pentadécyl]-4-méthylène-5-oxotétrahydro-3-furanecarboxylique [French] [ACD/IUPAC Name]
(18R)-18-O-B-d-glucopyranosyl-(1-2)-[-d-glucopyranosyl-(1-6)]--d-glucopyranoside of allo-murolicacid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1051.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 174.2±6.0 kJ/mol
Flash Point: 310.8±27.8 °C
Index of Refraction: 1.593
Molar Refractivity: 202.9±0.4 cm3
#H bond acceptors: 20
#H bond donors: 11
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: 0.44
ACD/LogD (pH 5.5): -2.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 321 Å2
Polarizability: 80.4±0.5 10-24cm3
Surface Tension: 75.3±5.0 dyne/cm
Molar Volume: 598.6±5.0 cm3

Click to predict properties on the Chemicalize site


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