ChemSpider 2D Image | Methyl (2E,6E,10E,14S)-14-(beta-D-glucopyranosyloxy)-4-hydroxy-2,6,10,14-tetramethyl-2,6,10,15-hexadecatetraenoate | C27H44O9

Methyl (2E,6E,10E,14S)-14-(β-D-glucopyranosyloxy)-4-hydroxy-2,6,10,14-tetramethyl-2,6,10,15-hexadecatetraenoate

  • Molecular FormulaC27H44O9
  • Average mass512.633 Da
  • Monoisotopic mass512.298523 Da
  • ChemSpider ID84487546

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(2E,6E,10E,14S)-14-(β-D-Glucopyranosyloxy)-4-hydroxy-2,6,10,14-tétraméthyl-2,6,10,15-hexadécatétraénoate de méthyle [French] [ACD/IUPAC Name]
2,6,10,15-Hexadecatetraenoic acid, 14-(β-D-glucopyranosyloxy)-4-hydroxy-2,6,10,14-tetramethyl-, methyl ester, (2E,6E,10E,14S)- [ACD/Index Name]
Methyl (2E,6E,10E,14S)-14-(β-D-glucopyranosyloxy)-4-hydroxy-2,6,10,14-tetramethyl-2,6,10,15-hexadecatetraenoate [ACD/IUPAC Name]
Methyl-(2E,6E,10E,14S)-14-(β-D-glucopyranosyloxy)-4-hydroxy-2,6,10,14-tetramethyl-2,6,10,15-hexadecatetraenoat [German] [ACD/IUPAC Name]
Compound NP-023316
methyl (2E,6E,10E,14S)-4-hydroxy-2,6,10,14-tetramethyl-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 679.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.1±6.0 kJ/mol
Flash Point: 216.2±25.0 °C
Index of Refraction: 1.545
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 138.93
ACD/KOC (pH 5.5): 1189.65
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 138.93
ACD/KOC (pH 7.4): 1189.64
Polar Surface Area: 146 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 432.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement