ChemSpider 2D Image | (6Z,13Z)-N-[(2S,3R)-1,3-Dihydroxy-2-icosanyl]-6,13-docosadienamide | C42H81NO3

(6Z,13Z)-N-[(2S,3R)-1,3-Dihydroxy-2-icosanyl]-6,13-docosadienamide

  • Molecular FormulaC42H81NO3
  • Average mass648.097 Da
  • Monoisotopic mass647.621643 Da
  • ChemSpider ID75320559

  • 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

(6Z,13Z)-N-[(2S,3R)-1,3-Dihydroxy-2-icosanyl]-6,13-docosadienamid [German] [ACD/IUPAC Name]
(6Z,13Z)-N-[(2S,3R)-1,3-Dihydroxy-2-icosanyl]-6,13-docosadienamide [ACD/IUPAC Name]
(6Z,13Z)-N-[(2S,3R)-1,3-Dihydroxy-2-icosanyl]-6,13-docosadiénamide [French] [ACD/IUPAC Name]
6,13-Docosadienamide, N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)nonadecyl]-, (6Z,13Z)- [ACD/Index Name]
(6Z,13Z)-N-[(2S,3R)-1,3-dihydroxyicosan-2-yl]docosa-6,13-dienamide
Cer(d20:0/22:2(6Z,13Z))

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

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

Density: 0.9±0.1 g/cm3
Boiling Point: 749.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.7±6.0 kJ/mol
Flash Point: 407.1±32.9 °C
Index of Refraction: 1.484
Molar Refractivity: 203.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 16.75
ACD/LogD (pH 5.5): 15.00
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.00
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 70 Å2
Polarizability: 80.6±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 710.7±3.0 cm3

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