Found 57 results

Search term: MF = 'C_{44}H_{76}NO_{10}P'
ChemSpider 2D Image | O-[{(2R)-3-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-2-[(9Z)-9-hexadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine | C44H76NO10P

O-[{(2R)-3-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-2-[(9Z)-9-hexadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine

  • Molecular FormulaC44H76NO10P
  • Average mass810.049 Da
  • Monoisotopic mass809.520691 Da
  • ChemSpider ID74876235

  • 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

7,10,13,16-Docosatetraenoic acid, (2R)-3-[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]propyl ester, (7Z,10Z,13Z,16Z)- [ACD/Index Name]
O-[{(2R)-3-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-2-[(9Z)-9-hexadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serin [German] [ACD/IUPAC Name]
O-[{(2R)-3-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-2-[(9Z)-9-hexadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine [ACD/IUPAC Name]
O-[{(2R)-3-[(7Z,10Z,13Z,16Z)-7,10,13,16-Docosatetraenoyloxy]-2-[(9Z)-9-hexadecenoyloxy]propoxy}(hydroxy)phosphoryl]-L-sérine [French] [ACD/IUPAC Name]
(2S)-2-amino-3-({[(2R)-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-2-[(9Z)-hexadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[(2R)-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-2-[(9Z)-hexadec-9-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}propanoic acid
1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-2-(9Z-hexadecenoyl)-glycero-3-phosphoserine
PS(16:1_22:4)
PS(22:4(7Z,10Z,13Z,16Z)/16:1(9Z))
PS(38:5)

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: 1.1±0.1 g/cm3
Boiling Point: 831.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 131.3±6.0 kJ/mol
Flash Point: 456.9±37.1 °C
Index of Refraction: 1.506
Molar Refractivity: 226.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: 14.28
ACD/LogD (pH 5.5): 6.89
ACD/BCF (pH 5.5): 14776.28
ACD/KOC (pH 5.5): 3397.65
ACD/LogD (pH 7.4): 6.79
ACD/BCF (pH 7.4): 11579.32
ACD/KOC (pH 7.4): 2662.54
Polar Surface Area: 181 Å2
Polarizability: 89.9±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 763.3±3.0 cm3

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