ChemSpider 2D Image | (5S)-3-[(2R,13R)-13-[(2R,5S)-5-[(2S,5R,6S)-6-Decyltetrahydro-5-hydroxy-2H-pyran-2-yl]tetrahydro-2-furanyl]-2,13-dihydroxytridecyl]-5-methyl-2(5H)-furanone | C37H66O7

(5S)-3-[(2R,13R)-13-[(2R,5S)-5-[(2S,5R,6S)-6-Decyltetrahydro-5-hydroxy-2H-pyran-2-yl]tetrahydro-2-furanyl]-2,13-dihydroxytridecyl]-5-methyl-2(5H)-furanone

  • Molecular FormulaC37H66O7
  • Average mass622.916 Da
  • Monoisotopic mass622.480835 Da
  • ChemSpider ID9321673

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5S)-3-[(2R,13R)-13-[(2R,5S)-5-[(2S,5R,6S)-6-Decyltetrahydro-5-hydroxy-2H-pyran-2-yl]tetrahydro-2-furanyl]-2,13-dihydroxytridecyl]-5-methyl-2(5H)-furanone
(5S)-3-[(2R,13R)-13-{(2R,5S)-5-[(2S,5R,6S)-6-Decyl-5-hydroxytetrahydro-2H-pyran-2-yl]tetrahydro-2-furanyl}-2,13-dihydroxytridecyl]-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-[(2R,13R)-13-{(2R,5S)-5-[(2S,5R,6S)-6-Decyl-5-hydroxytetrahydro-2H-pyran-2-yl]tetrahydro-2-furanyl}-2,13-dihydroxytridecyl]-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-[(2R,13R)-13-{(2R,5S)-5-[(2S,5R,6S)-6-Décyl-5-hydroxytétrahydro-2H-pyran-2-yl]tétrahydro-2-furanyl}-2,13-dihydroxytridécyl]-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[(2R,13R)-13-[(2R,5S)-5-[(2S,5R,6S)-6-decyltetrahydro-5-hydroxy-2H-pyran-2-yl]tetrahydro-2-furanyl]-2,13-dihydroxytridecyl]-5-methyl-, (5S)- [ACD/Index Name]
204185-17-1 [RN]
(2S)-4-[(2R,13R)-13-[(2R,5S)-5-[(2S,5R,6S)-6-decyl-5-hydroxyoxan-2-yl]oxolan-2-yl]-2,13-dihydroxytridecyl]-2-methyl-2H-furan-5-one
jimenezin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 749.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.7±6.0 kJ/mol
Flash Point: 221.9±26.4 °C
Index of Refraction: 1.506
Molar Refractivity: 176.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 7.72
ACD/LogD (pH 5.5): 8.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 736023.81
ACD/LogD (pH 7.4): 8.25
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 736023.81
Polar Surface Area: 105 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 593.6±3.0 cm3

Click to predict properties on the Chemicalize site


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