ChemSpider 2D Image | 1-O-({(2S,3R,4R)-2-[(14S)-14-Hydroxypentadecyl]-4-methyl-5-oxotetrahydro-3-furanyl}carbonyl)-beta-D-glucopyranose | C27H48O10

1-O-({(2S,3R,4R)-2-[(14S)-14-Hydroxypentadecyl]-4-methyl-5-oxotetrahydro-3-furanyl}carbonyl)-β-D-glucopyranose

  • Molecular FormulaC27H48O10
  • Average mass532.664 Da
  • Monoisotopic mass532.324768 Da
  • ChemSpider ID78439716

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

1-O-({(2S,3R,4R)-2-[(14S)-14-Hydroxypentadecyl]-4-methyl-5-oxotetrahydro-3-furanyl}carbonyl)-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-({(2S,3R,4R)-2-[(14S)-14-Hydroxypentadecyl]-4-methyl-5-oxotetrahydro-3-furanyl}carbonyl)-β-D-glucopyranose [ACD/IUPAC Name]
1-O-({(2S,3R,4R)-2-[(14S)-14-Hydroxypentadécyl]-4-méthyl-5-oxotétrahydro-3-furanyl}carbonyl)-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[[(2S,3R,4R)-tetrahydro-2-[(14S)-14-hydroxypentadecyl]-4-methyl-5-oxo-3-furanyl]carbonyl]- [ACD/Index Name]
21-O-b-d-Glucopyranosyl-18S-hydroxydihydroprotolichesterinate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 693.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.2±6.0 kJ/mol
Flash Point: 220.1±25.0 °C
Index of Refraction: 1.535
Molar Refractivity: 135.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 73.93
ACD/KOC (pH 5.5): 757.42
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.93
ACD/KOC (pH 7.4): 757.41
Polar Surface Area: 163 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 436.8±5.0 cm3

Click to predict properties on the Chemicalize site


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