Found 77 results

Search term: MF = 'C_{35}H_{62}O_{7}'
ChemSpider 2D Image | (5S)-3-[(2R,13R)-2,13-Dihydroxy-13-{(2R,5R)-5-[(1R)-1-hydroxytridecyl]tetrahydro-2-furanyl}-7-oxotridecyl]-5-methyl-2(5H)-furanone | C35H62O7

(5S)-3-[(2R,13R)-2,13-Dihydroxy-13-{(2R,5R)-5-[(1R)-1-hydroxytridecyl]tetrahydro-2-furanyl}-7-oxotridecyl]-5-methyl-2(5H)-furanone

  • Molecular FormulaC35H62O7
  • Average mass594.863 Da
  • Monoisotopic mass594.449524 Da
  • ChemSpider ID8229776

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5S)-3-[(2R,13R)-2,13-Dihydroxy-13-{(2R,5R)-5-[(1R)-1-hydroxytridecyl]tetrahydro-2-furanyl}-7-oxotridecyl]-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-[(2R,13R)-2,13-Dihydroxy-13-{(2R,5R)-5-[(1R)-1-hydroxytridecyl]tetrahydro-2-furanyl}-7-oxotridecyl]-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-[(2R,13R)-2,13-Dihydroxy-13-{(2R,5R)-5-[(1R)-1-hydroxytridécyl]tétrahydro-2-furanyl}-7-oxotridécyl]-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[(2R,13R)-2,13-dihydroxy-7-oxo-13-[(2R,5R)-tetrahydro-5-[(1R)-1-hydroxytridecyl]-2-furanyl]tridecyl]-5-methyl-, (5S)- [ACD/Index Name]
(5S)-3-[(2R,13R)-2,13-dihydroxy-13-{(2R,5R)-5-[(1R)-1-hydroxytridecyl]tetrahydrofuran-2-yl}-7-oxotridecyl]-5-methylfuran-2(5H)-one
Annoreticuin-9-one

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

Density: 1.0±0.1 g/cm3
Boiling Point: 752.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.1±6.0 kJ/mol
Flash Point: 226.2±26.4 °C
Index of Refraction: 1.502
Molar Refractivity: 167.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 7.07
ACD/BCF (pH 5.5): 138901.63
ACD/KOC (pH 5.5): 167004.16
ACD/LogD (pH 7.4): 7.07
ACD/BCF (pH 7.4): 138901.63
ACD/KOC (pH 7.4): 167004.16
Polar Surface Area: 113 Å2
Polarizability: 66.4±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 567.7±3.0 cm3

Click to predict properties on the Chemicalize site


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