Found 1 result

Search term: 59696888 (Found by CSID)
ChemSpider 2D Image | (1Z,2R)-N-[(2S,3R,4E,8E)-1,3-Dihydroxy-9-methyl-4,8-octadecadien-2-yl]-2-hydroxyhexadecanimidic acid | C35H67NO4

(1Z,2R)-N-[(2S,3R,4E,8E)-1,3-Dihydroxy-9-methyl-4,8-octadecadien-2-yl]-2-hydroxyhexadecanimidic acid

  • Molecular FormulaC35H67NO4
  • Average mass565.911 Da
  • Monoisotopic mass565.507019 Da
  • ChemSpider ID59696888

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1Z,2R)-N-[(2S,3R,4E,8E)-1,3-Dihydroxy-9-methyl-4,8-octadecadien-2-yl]-2-hydroxyhexadecanimidic acid [ACD/IUPAC Name]
(1Z,2R)-N-[(2S,3R,4E,8E)-1,3-Dihydroxy-9-methyl-4,8-octadecadien-2-yl]-2-hydroxyhexadecanimidsäure [German] [ACD/IUPAC Name]
Acide (1Z,2R)-N-[(2S,3R,4E,8E)-1,3-dihydroxy-9-méthyl-4,8-octadécadién-2-yl]-2-hydroxyhexadécanimidique [French] [ACD/IUPAC Name]
Hexadecanimidic acid, 2-hydroxy-N-[(1S,2R,3E,7E)-2-hydroxy-1-(hydroxymethyl)-8-methyl-3,7-heptadecadien-1-yl]-, (1Z,2R)- [ACD/Index Name]
(2R)-N-[(2S,3R,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]-2-hydroxyhexadecanamide
(2S,2′R,3R,4E,8E)-N-2′-hydroxyhexadecanoyl-2-amino-9-methyl-4,8-octadecadiene-1,3-diol
N-(2R-Hydroxyhexadecanoyl)-2S-amino-9-methyl-4E,8E-octadecadiene-1,3R-diol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 694.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.4±6.0 kJ/mol
Flash Point: 482.5±23.5 °C
Index of Refraction: 1.491
Molar Refractivity: 169.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 2
ACD/LogP: 13.38
ACD/LogD (pH 5.5): 11.50
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.49
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 93 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 34.9±7.0 dyne/cm
Molar Volume: 586.4±7.0 cm3

Click to predict properties on the Chemicalize site


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