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Chemical ID: 6691294

CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O

Chemical ID:

6691294

Name [?]:

2-[(2-hydroxy-3-octadec-9-enoyloxy-propoxy)-oxido-phosphoryl]oxyethyl-trimethyl-ammonium

SMILES [?]:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O

InChi [?]:

InChI=1/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,32,33,34,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,30,29,21,23,22,18,31,35,19,26,27,20,28,24,25/E:(2,3,4)(30,31)/CRV:27+1,31-1/rA:35cCCCCCCCCCCCCCCCCCCOOCCCOPOO-OCCN+CCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;w9;s10;s11;s12;s13;s14;s15;s16;s17;d18;s18;s20;s21;s22;s23;s24;d25;s25;s25;s28;s29;s30;s31;s31;s31;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₅₂NO₇P
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	2

ZAP Information [?]

Total:	-14.9636
Area:	921.437
Solvation:	-37.9995
Coulombic:	-62.3197

Bond Count [?]

All:	34
Single:	31
Double:	3
Rotors:	25
Chiral:	1
Rigid Segments:	15

Chemical Properties

Molecular Weight:	521.667
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	3.31
LogP (Chemaxon):	0.22

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value