ChemSpider 2D Image | (20Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6lambda~5~-phosphaheptacos-20-en-9-yl (13Z,16Z)-13,16-docosadienoate | C45H84NO8P

(20Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphaheptacos-20-en-9-yl (13Z,16Z)-13,16-docosadienoate

  • Molecular FormulaC45H84NO8P
  • Average mass798.124 Da
  • Monoisotopic mass797.593445 Da
  • ChemSpider ID74850766

  • Double-bond stereo - Double-bond stereo

More details:

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

(13Z,16Z)-13,16-Docosadiénoate de (20Z)-6-hydroxy-2-méthyl-12-oxo-6-oxydo-5,7,11-trioxa-2-aza-6λ5-phosphaheptacos-20-én-9-yle [French] [ACD/IUPAC Name]
(20Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphaheptacos-20-en-9-yl (13Z,16Z)-13,16-docosadienoate [ACD/IUPAC Name]
(20Z)-6-Hydroxy-2-methyl-6-oxido-12-oxo-5,7,11-trioxa-2-aza-6λ5-phosphaheptacos-20-en-9-yl-(13Z,16Z)-13,16-docosadienoat [German] [ACD/IUPAC Name]
13,16-Docosadienoic acid, 2-[[[2-(dimethylamino)ethoxy]hydroxyphosphinyl]oxy]-1-[[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]methyl]ethyl ester, (13Z,16Z)- [ACD/Index Name]
[2-(dimethylamino)ethoxy]({2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(9Z)-hexadec-9-enoyloxy]propoxy})phosphinic acid
2-(dimethylamino)ethoxy(2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(9Z)-hexadec-9-enoyloxy]propoxy)phosphinic acid
PE-NMe2(16:1(9Z)/22:2(13Z,16Z))

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: 1.0±0.1 g/cm3
Boiling Point: 779.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 123.3±6.0 kJ/mol
Flash Point: 425.0±35.7 °C
Index of Refraction: 1.486
Molar Refractivity: 229.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 2
ACD/LogP: 16.07
ACD/LogD (pH 5.5): 10.17
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 591085.50
ACD/LogD (pH 7.4): 10.14
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 551832.75
Polar Surface Area: 121 Å2
Polarizability: 91.1±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 801.2±3.0 cm3

Click to predict properties on the Chemicalize site


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