ChemSpider 2D Image | (5S)-3-[(2R)-2-Hydroxy-7-{(2R,2'R,2''R,5S,5'R,5''R)-5''-[(1R)-1-hydroxytridecyl]dodecahydro-2,2':5',2''-terfuran-5-yl}heptyl]-5-methyl-2(5H)-furanone | C37H64O7

(5S)-3-[(2R)-2-Hydroxy-7-{(2R,2'R,2''R,5S,5'R,5''R)-5''-[(1R)-1-hydroxytridecyl]dodecahydro-2,2':5',2''-terfuran-5-yl}heptyl]-5-methyl-2(5H)-furanone

  • Molecular FormulaC37H64O7
  • Average mass620.900 Da
  • Monoisotopic mass620.465210 Da
  • ChemSpider ID9279241

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(5S)-3-[(2R)-2-Hydroxy-7-{(2R,2'R,2''R,5S,5'R,5''R)-5''-[(1R)-1-hydroxytridecyl]dodecahydro-2,2':5',2''-terfuran-5-yl}heptyl]-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-[(2R)-2-Hydroxy-7-{(2R,2'R,2''R,5S,5'R,5''R)-5''-[(1R)-1-hydroxytridecyl]dodecahydro-2,2':5',2''-terfuran-5-yl}heptyl]-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-[(2R)-2-Hydroxy-7-{(2R,2'R,2''R,5S,5'R,5''R)-5''-[(1R)-1-hydroxytridécyl]dodécahydro-2,2':5',2''-terfuran-5-yl}heptyl]-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[(2R)-7-[(2R,2'R,2''R,5S,5'R,5''R)-dodecahydro-5''-[(1R)-1-hydroxytridecyl][2,2':5',2''-terfuran]-5-yl]-2-hydroxyheptyl]-5-methyl-, (5S)- [ACD/Index Name]
Goniocin

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

Density: 1.1±0.1 g/cm3
Boiling Point: 735.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.5±6.0 kJ/mol
Flash Point: 218.5±22.2 °C
Index of Refraction: 1.511
Molar Refractivity: 174.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 7.06
ACD/LogD (pH 5.5): 7.80
ACD/BCF (pH 5.5): 497784.13
ACD/KOC (pH 5.5): 416402.69
ACD/LogD (pH 7.4): 7.80
ACD/BCF (pH 7.4): 497784.13
ACD/KOC (pH 7.4): 416402.69
Polar Surface Area: 94 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 582.8±3.0 cm3

Click to predict properties on the Chemicalize site


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