Found 1 result

Search term: 78443467 (Found by CSID)
ChemSpider 2D Image | (4S,7E,11Z)-4,15-Dihydroxy-3,3,7-trimethyl-2-oxabicyclo[12.3.1]octadeca-1(18),7,11,14,16-pentaene-11-carboxylic acid | C21H28O5

(4S,7E,11Z)-4,15-Dihydroxy-3,3,7-trimethyl-2-oxabicyclo[12.3.1]octadeca-1(18),7,11,14,16-pentaene-11-carboxylic acid

  • Molecular FormulaC21H28O5
  • Average mass360.444 Da
  • Monoisotopic mass360.193665 Da
  • ChemSpider ID78443467

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S,7E,11Z)-4,15-Dihydroxy-3,3,7-trimethyl-2-oxabicyclo[12.3.1]octadeca-1(18),7,11,14,16-pentaen-11-carbonsäure [German] [ACD/IUPAC Name]
(4S,7E,11Z)-4,15-Dihydroxy-3,3,7-trimethyl-2-oxabicyclo[12.3.1]octadeca-1(18),7,11,14,16-pentaene-11-carboxylic acid [ACD/IUPAC Name]
2-Oxabicyclo[12.3.1]octadeca-1(18),7,11,14,16-pentaene-11-carboxylic acid, 4,15-dihydroxy-3,3,7-trimethyl-, (4S,7E,11Z)- [ACD/Index Name]
Acide (4S,7E,11Z)-4,15-dihydroxy-3,3,7-triméthyl-2-oxabicyclo[12.3.1]octadéca-1(18),7,11,14,16-pentaène-11-carboxylique [French] [ACD/IUPAC Name]
Petchiether A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 558.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 193.5±23.6 °C
Index of Refraction: 1.540
Molar Refractivity: 99.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 142.42
ACD/KOC (pH 5.5): 646.98
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 2.24
ACD/KOC (pH 7.4): 10.15
Polar Surface Area: 87 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 317.9±3.0 cm3

Click to predict properties on the Chemicalize site


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