ChemSpider 2D Image | PC | C52H80NO8P

PC

  • Molecular FormulaC52H80NO8P
  • Average mass878.167 Da
  • Monoisotopic mass877.562134 Da
  • ChemSpider ID24767409
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-2,3-Bis[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2,3-Bis[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-docosahexaenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
(7R,13Z,16Z,19Z,22Z,25Z,28Z)-4-Hydroxy-N,N,N-trimethyl-10-oxo-7-[[(4Z,7Z,10Z,13Z,16Z,19Z)-1-oxo-4,7,10,13,16,19-docosahexaenyl]oxy]-3,5,9-trioxa-4-phosphahentriaconta-13,16,19,22,25,28-hexaen-1-aminium 4-oxide, inner salt
1,2-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine
1,2-DOCOSAHEXANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
99296-81-8 [RN]
DHAPC
Ethanaminium, 2-[[[(2R)-2,3-bis[[(4Z,7Z,10Z,13Z,16Z,19Z)-1-oxo-4,7,10,13,16,19-docosahexaen-1-yl]oxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
MFCD00674317
PC
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

T82NM81DCA [DBID]
LMGP01011119 [DBID]
UNII:T82NM81DCA [DBID]
UNII-T82NM81DCA [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 2
ACD/LogP: 10.13
ACD/LogD (pH 5.5): 7.36
ACD/BCF (pH 5.5): 322946.78
ACD/KOC (pH 5.5): 452409.19
ACD/LogD (pH 7.4): 7.36
ACD/BCF (pH 7.4): 322957.78
ACD/KOC (pH 7.4): 452424.56
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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