ChemSpider 2D Image | (1S,5S)-1,5-Anhydro-2-deoxy-5-{(E)-2-[(1S,2S,3R)-2-{(1E,3R,4E)-5-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]-3-methyl-1,4-hexadien-1-yl}-3-methylcyclopropyl]vinyl}-3,4-di-O-formyl-1-(2-methox y-2-oxoethyl)-L-threo-pentitol | C31H44O8

(1S,5S)-1,5-Anhydro-2-deoxy-5-{(E)-2-[(1S,2S,3R)-2-{(1E,3R,4E)-5-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]-3-methyl-1,4-hexadien-1-yl}-3-methylcyclopropyl]vinyl}-3,4-di-O-formyl-1-(2-methox y-2-oxoethyl)-L-threo-pentitol

  • Molecular FormulaC31H44O8
  • Average mass544.676 Da
  • Monoisotopic mass544.303589 Da
  • ChemSpider ID34240676

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,5S)-1,5-Anhydro-2-deoxy-5-{(E)-2-[(1S,2S,3R)-2-{(1E,3R,4E)-5-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]-3-methyl-1,4-hexadien-1-yl}-3-methylcyclopropyl]vinyl}-3,4-di-O-formyl-1-(2-methox y-2-oxoethyl)-L-threo-pentitol [ACD/IUPAC Name]
(1S,5S)-1,5-Anhydro-2-desoxy-5-{(E)-2-[(1S,2S,3R)-2-{(1E,3R,4E)-5-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]-3-methyl-1,4-hexadien-1-yl}-3-methylcyclopropyl]vinyl}-3,4-di-O-formyl-1-(2-metho xy-2-oxoethyl)-L-threo-pentitol [German] [ACD/IUPAC Name]
(1S,5S)-1,5-Anhydro-2-désoxy-5-{(E)-2-[(1S,2S,3R)-2-{(1E,3R,4E)-5-[(2R,6R)-6-éthyl-5-méthyl-3,6-dihydro-2H-pyran-2-yl]-3-méthyl-1,4-hexadién-1-yl}-3-méthylcyclopropyl]vinyl}-3,4-di-O-formyl-1-(2-métho xy-2-oxoéthyl)-L-thréo-pentitol [French] [ACD/IUPAC Name]
L-gluco-Non-8-enonic acid, 3,7-anhydro-2,4,8,9-tetradeoxy-9-[(1S,2S,3R)-2-[(1E,3R,4E)-5-[(2R,6R)-6-ethyl-3,6-dihydro-5-methyl-2H-pyran-2-yl]-3-methyl-1,4-hexadien-1-yl]-3-methylcyclopropyl]-, methyl e ster, diformate, (8E)- [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: 604.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 250.4±31.5 °C
Index of Refraction: 1.530
Molar Refractivity: 147.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13684.67
ACD/KOC (pH 5.5): 31791.03
ACD/LogD (pH 7.4): 5.74
ACD/BCF (pH 7.4): 13684.67
ACD/KOC (pH 7.4): 31791.03
Polar Surface Area: 97 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 478.8±5.0 cm3

Click to predict properties on the Chemicalize site


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