Found 9 results

Search term: MF = 'C_{51}H_{74}O_{7}'
ChemSpider 2D Image | (5S)-3-[(2R,13R)-13-(Benzyloxy)-13-{(2R,2'R,5R,5'R)-5'-[(1S)-1-(benzyloxy)undecyl]octahydro-2,2'-bifuran-5-yl}-2-hydroxy-4-tridecyn-1-yl]-5-methyl-2(5H)-furanone | C51H74O7

(5S)-3-[(2R,13R)-13-(Benzyloxy)-13-{(2R,2'R,5R,5'R)-5'-[(1S)-1-(benzyloxy)undecyl]octahydro-2,2'-bifuran-5-yl}-2-hydroxy-4-tridecyn-1-yl]-5-methyl-2(5H)-furanone

  • Molecular FormulaC51H74O7
  • Average mass799.129 Da
  • Monoisotopic mass798.543457 Da
  • ChemSpider ID26578543

  • 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-(Benzyloxy)-13-{(2R,2'R,5R,5'R)-5'-[(1S)-1-(benzyloxy)undecyl]octahydro-2,2'-bifuran-5-yl}-2-hydroxy-4-tridecin-1-yl]-5-methyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-3-[(2R,13R)-13-(Benzyloxy)-13-{(2R,2'R,5R,5'R)-5'-[(1S)-1-(benzyloxy)undecyl]octahydro-2,2'-bifuran-5-yl}-2-hydroxy-4-tridecyn-1-yl]-5-methyl-2(5H)-furanone [ACD/IUPAC Name]
(5S)-3-[(2R,13R)-13-(Benzyloxy)-13-{(2R,2'R,5R,5'R)-5'-[(1S)-1-(benzyloxy)undécyl]octahydro-2,2'-bifuran-5-yl}-2-hydroxy-4-tridécyn-1-yl]-5-méthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[(2R,13R)-2-hydroxy-13-[(2R,2'R,5R,5'R)-octahydro-5'-[(1S)-1-(phenylmethoxy)undecyl][2,2'-bifuran]-5-yl]-13-(phenylmethoxy)-4-tridecyn-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: 865.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.7±3.0 kJ/mol
Flash Point: 241.6±27.8 °C
Index of Refraction: 1.537
Molar Refractivity: 233.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 2
ACD/LogP: 11.66
ACD/LogD (pH 5.5): 11.70
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.70
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 83 Å2
Polarizability: 92.4±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 746.4±3.0 cm3

Click to predict properties on the Chemicalize site


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