Found 1 result

Search term: 113376684 (Found by CSID)
ChemSpider 2D Image | O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(1Z)-1-hexadecen-1-yloxy]propoxy}(hydroxy)phosphoryl]-L-serine | C44H82NO9P

O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(1Z)-1-hexadecen-1-yloxy]propoxy}(hydroxy)phosphoryl]-L-serine

  • Molecular FormulaC44H82NO9P
  • Average mass800.097 Da
  • Monoisotopic mass799.572693 Da
  • ChemSpider ID113376684

  • 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

13,16-Docosadienoic acid, (1R)-2-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-1-[[(1Z)-1-hexadecen-1-yloxy]methyl]ethyl ester, (13Z,16Z)- [ACD/Index Name]
O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(1Z)-1-hexadecen-1-yloxy]propoxy}(hydroxy)phosphoryl]-L-serin [German] [ACD/IUPAC Name]
O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(1Z)-1-hexadecen-1-yloxy]propoxy}(hydroxy)phosphoryl]-L-serine [ACD/IUPAC Name]
O-[{(2R)-2-[(13Z,16Z)-13,16-Docosadienoyloxy]-3-[(1Z)-1-hexadécén-1-yloxy]propoxy}(hydroxy)phosphoryl]-L-sérine [French] [ACD/IUPAC Name]
1-(1Z-hexadecenyl)-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphoserine
PS(P-16:0/22:2(13Z,16Z))
PS(P-16:0/22:2)
PS(P-38:2)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 823.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 130.0±6.0 kJ/mol
Flash Point: 451.8±37.1 °C
Index of Refraction: 1.493
Molar Refractivity: 226.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: 16.73
ACD/LogD (pH 5.5): 10.24
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 224174.36
ACD/LogD (pH 7.4): 10.13
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 176109.92
Polar Surface Area: 164 Å2
Polarizability: 89.8±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 779.0±3.0 cm3

Click to predict properties on the Chemicalize site


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