Found 26 results

Search term: MF = 'C_{43}H_{74}O_{2}'
ChemSpider 2D Image | (3R,4E,13E,39Z,41R)-4,13,39-Tritetracontatriene-1,42-diyne-3,41-diol | C43H74O2

(3R,4E,13E,39Z,41R)-4,13,39-Tritetracontatriene-1,42-diyne-3,41-diol

  • Molecular FormulaC43H74O2
  • Average mass623.047 Da
  • Monoisotopic mass622.568909 Da
  • ChemSpider ID24686454

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4E,13E,39Z,41R)-4,13,39-Tritetracontatrien-1,42-diin-3,41-diol [German] [ACD/IUPAC Name]
(3R,4E,13E,39Z,41R)-4,13,39-Tritetracontatriene-1,42-diyne-3,41-diol [ACD/IUPAC Name]
(3R,4E,13E,39Z,41R)-4,13,39-Tritétracontatriène-1,42-diyne-3,41-diol [French] [ACD/IUPAC Name]
4,13,39-Tritetracontatriene-1,42-diyne-3,41-diol, (3R,4E,13E,39Z,41R)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL444964/

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

Density: 0.9±0.1 g/cm3
Boiling Point: 695.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.5±6.0 kJ/mol
Flash Point: 246.7±24.7 °C
Index of Refraction: 1.498
Molar Refractivity: 200.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 16.89
ACD/LogD (pH 5.5): 13.52
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.52
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 40 Å2
Polarizability: 79.3±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 682.5±3.0 cm3

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