ChemSpider 2D Image | 1,2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOSERINE | C50H74NO10P

1,2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOSERINE

  • Molecular FormulaC50H74NO10P
  • Average mass880.097 Da
  • Monoisotopic mass879.505005 Da
  • ChemSpider ID32699425

  • 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

1,2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOSERINE
133831-23-9 [RN]
4,7,10,13,16,19-Docosahexaenoic acid, (1R)-1-[[[[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester, (4Z,7Z,10Z,13Z,16Z,19Z,4'Z,7'Z,10'Z,13'Z,16'Z,19'Z)- [ACD/Index Name]
O-[{(2R)-2,3-Bis[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serin [German] [ACD/IUPAC Name]
O-[{(2R)-2,3-Bis[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoyloxy]propoxy}(hydroxy)phosphoryl]-L-serine [ACD/IUPAC Name]
O-[{(2R)-2,3-Bis[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoyloxy]propoxy}(hydroxy)phosphoryl]-L-sérine [French] [ACD/IUPAC Name]
(2S)-2-amino-3-({[(2R)-2,3-bis[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propoxy](hydroxy)phosphoryl}oxy)propanoic acid
(2S)-2-amino-3-{[(2R)-2,3-bis[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propoxy(hydroxy)phosphoryl]oxy}propanoic acid
1,2-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine
1,2-Didocosahexaenoyl-rac-glycero-3-phosphoserine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

DVY07ILF1W [DBID]
UNII:DVY07ILF1W [DBID]
UNII-DVY07ILF1W [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 878.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.5±6.0 kJ/mol
Flash Point: 485.1±37.1 °C
Index of Refraction: 1.536
Molar Refractivity: 254.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 13.25
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 1099.80
ACD/KOC (pH 5.5): 529.16
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 861.68
ACD/KOC (pH 7.4): 414.59
Polar Surface Area: 181 Å2
Polarizability: 101.0±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 817.6±3.0 cm3

Click to predict properties on the Chemicalize site


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