Found 1 result

Search term: 78445560 (Found by CSID)
ChemSpider 2D Image | (6R,7R)-4,7-Dihydroxy-6-{[(4E)-6-methyl-9-phenyl-4-nonenoyl]oxy}-1-[(3E)-5-methyl-8-phenyl-3-octen-1-yl]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid (non-preferred name) | C40H50O12

(6R,7R)-4,7-Dihydroxy-6-{[(4E)-6-methyl-9-phenyl-4-nonenoyl]oxy}-1-[(3E)-5-methyl-8-phenyl-3-octen-1-yl]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid (non-preferred name)

  • Molecular FormulaC40H50O12
  • Average mass722.818 Da
  • Monoisotopic mass722.330200 Da
  • ChemSpider ID78445560

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 8 defined stereocentres

More details:

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

(6R,7R)-4,7-Dihydroxy-6-{[(4E)-6-methyl-9-phenyl-4-nonenoyl]oxy}-1-[(3E)-5-methyl-8-phenyl-3-octen-1-yl]-2,8-dioxabicyclo[3.2.1]octan-3,4,5-tricarbonsäure (non-preferred name) [German] [ACD/IUPAC Name]
(6R,7R)-4,7-Dihydroxy-6-{[(4E)-6-methyl-9-phenyl-4-nonenoyl]oxy}-1-[(3E)-5-methyl-8-phenyl-3-octen-1-yl]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid (non-preferred name) [ACD/IUPAC Name]
Acide (6R,7R)-4,7-dihydroxy-6-{[(4E)-6-méthyl-9-phényl-4-nonenoyl]oxy}-1-[(3E)-5-méthyl-8-phényl-3-octén-1-yl]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylique (non-preferred name) [French] [ACD/IUPAC Name]
zaragozic acid E

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

Density: 1.3±0.1 g/cm3
Boiling Point: 884.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.7±3.0 kJ/mol
Flash Point: 266.6±27.8 °C
Index of Refraction: 1.611
Molar Refractivity: 190.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 4
ACD/LogP: 13.18
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 6.64
ACD/KOC (pH 5.5): 3.31
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 5.46
ACD/KOC (pH 7.4): 2.73
Polar Surface Area: 197 Å2
Polarizability: 75.4±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 547.8±5.0 cm3

Click to predict properties on the Chemicalize site


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