Found 1 result

Search term: 78445018 (Found by CSID)
ChemSpider 2D Image | (3S,4S,6R,7R)-1-[(7E)-4-Acetoxy-5-methyl-8-phenyl-7-octen-1-yl]-4,7-dihydroxy-6-{[(8E)-9-phenyl-8-nonenoyl]oxy}-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid (non-preferred name) | C41H50O14

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

  • Molecular FormulaC41H50O14
  • Average mass766.827 Da
  • Monoisotopic mass766.320068 Da
  • ChemSpider ID78445018

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 8 defined stereocentres

More details:

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

(3S,4S,6R,7R)-1-[(7E)-4-Acetoxy-5-methyl-8-phenyl-7-octen-1-yl]-4,7-dihydroxy-6-{[(8E)-9-phenyl-8-nonenoyl]oxy}-2,8-dioxabicyclo[3.2.1]octan-3,4,5-tricarbonsäure (non-preferred name) [German] [ACD/IUPAC Name]
(3S,4S,6R,7R)-1-[(7E)-4-Acetoxy-5-methyl-8-phenyl-7-octen-1-yl]-4,7-dihydroxy-6-{[(8E)-9-phenyl-8-nonenoyl]oxy}-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid (non-preferred name) [ACD/IUPAC Name]
Acide (3S,4S,6R,7R)-1-[(7E)-4-acétoxy-5-méthyl-8-phényl-7-octén-1-yl]-4,7-dihydroxy-6-{[(8E)-9-phényl-8-nonenoyl]oxy}-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylique (non-preferred name) [French] [ACD/IUPAC Name]
Zaragozic acid F-10863A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 911.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.9±3.0 kJ/mol
Flash Point: 272.5±27.8 °C
Index of Refraction: 1.611
Molar Refractivity: 196.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 4
ACD/LogP: 10.98
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 1.48
ACD/KOC (pH 5.5): 1.13
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 1.21
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 223 Å2
Polarizability: 78.0±0.5 10-24cm3
Surface Tension: 68.1±5.0 dyne/cm
Molar Volume: 566.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement