ChemSpider 2D Image | (5S)-3-{(2R,6E)-9-[(2S,5S)-5-{(1S,4S)-4-[(2S,5R,6S)-6-Decyl-5-hydroxytetrahydro-2H-pyran-2-yl]-1,4-dihydroxybutyl}tetrahydro-2-furanyl]-2-hydroxy-6-nonen-8-yn-1-yl}-5-methyl-2(5H)-furanone | C37H60O8

(5S)-3-{(2R,6E)-9-[(2S,5S)-5-{(1S,4S)-4-[(2S,5R,6S)-6-Decyl-5-hydroxytetrahydro-2H-pyran-2-yl]-1,4-dihydroxybutyl}tetrahydro-2-furanyl]-2-hydroxy-6-nonen-8-yn-1-yl}-5-methyl-2(5H)-furanone

  • Molecular FormulaC37H60O8
  • Average mass632.867 Da
  • Monoisotopic mass632.428833 Da
  • ChemSpider ID9225626

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(5S)-3-{(2R,6E)-9-[(2S,5S)-5-{(1S,4S)-4-[(2S,5R,6S)-6-Decyl-5-hydroxytetrahydro-2H-pyran-2-yl]-1,4-dihydroxybutyl}tetrahydro-2-furanyl]-2-hydroxy-6-nonen-8-in-1-yl}-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-{(2R,6E)-9-[(2S,5S)-5-{(1S,4S)-4-[(2S,5R,6S)-6-Decyl-5-hydroxytetrahydro-2H-pyran-2-yl]-1,4-dihydroxybutyl}tetrahydro-2-furanyl]-2-hydroxy-6-nonen-8-yn-1-yl}-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-{(2R,6E)-9-[(2S,5S)-5-{(1S,4S)-4-[(2S,5R,6S)-6-Décyl-5-hydroxytétrahydro-2H-pyran-2-yl]-1,4-dihydroxybutyl}tétrahydro-2-furanyl]-2-hydroxy-6-nonén-8-yn-1-yl}-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[(2R,6E)-9-[(2S,5S)-5-[(1S,4S)-4-[(2S,5R,6S)-6-decyltetrahydro-5-hydroxy-2H-pyran-2-yl]-1,4-dihydroxybutyl]tetrahydro-2-furanyl]-2-hydroxy-6-nonen-8-yn-1-yl]-5-methyl-, (5S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 809.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.9±6.0 kJ/mol
Flash Point: 244.3±27.8 °C
Index of Refraction: 1.548
Molar Refractivity: 176.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 6.30
ACD/BCF (pH 5.5): 36244.27
ACD/KOC (pH 5.5): 63839.15
ACD/LogD (pH 7.4): 6.30
ACD/BCF (pH 7.4): 36244.27
ACD/KOC (pH 7.4): 63839.15
Polar Surface Area: 126 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 554.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement