ChemSpider 2D Image | (2S,3R)-2-[(14S)-14-{[4-O-(6-Deoxy-alpha-L-idopyranosyl)-beta-D-glucopyranosyl]oxy}pentadecyl]-4-methylene-5-oxotetrahydro-3-furancarboxylic acid | C33H56O14

(2S,3R)-2-[(14S)-14-{[4-O-(6-Deoxy-α-L-idopyranosyl)-β-D-glucopyranosyl]oxy}pentadecyl]-4-methylene-5-oxotetrahydro-3-furancarboxylic acid

  • Molecular FormulaC33H56O14
  • Average mass676.789 Da
  • Monoisotopic mass676.367004 Da
  • ChemSpider ID78439610

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(2S,3R)-2-[(14S)-14-{[4-O-(6-Deoxy-α-L-idopyranosyl)-β-D-glucopyranosyl]oxy}pentadecyl]-4-methylene-5-oxotetrahydro-3-furancarboxylic acid [ACD/IUPAC Name]
(2S,3R)-2-[(14S)-14-{[4-O-(6-Desoxy-α-L-idopyranosyl)-β-D-glucopyranosyl]oxy}pentadecyl]-4-methylen-5-oxotetrahydro-3-furancarbonsäure [German] [ACD/IUPAC Name]
3-Furancarboxylic acid, 2-[(14S)-14-[[4-O-(6-deoxy-α-L-idopyranosyl)-β-D-glucopyranosyl]oxy]pentadecyl]tetrahydro-4-methylene-5-oxo-, (2S,3R)- [ACD/Index Name]
Acide (2S,3R)-2-[(14S)-14-{[4-O-(6-désoxy-α-L-idopyranosyl)-β-D-glucopyranosyl]oxy}pentadécyl]-4-méthylène-5-oxotétrahydro-3-furanecarboxylique [French] [ACD/IUPAC Name]
(18S)-18-O-a-L-rhamnopyranosyl-(1-4)-b-D-glucopyranosideto protoconstipatic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 866.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.2±6.0 kJ/mol
Flash Point: 266.4±27.8 °C
Index of Refraction: 1.561
Molar Refractivity: 167.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 4.05
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.45
ACD/LogD (pH 7.4): -1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 222 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 518.1±5.0 cm3

Click to predict properties on the Chemicalize site


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