Chemical ID: 5262820

CCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
Chemical ID:
5262820
Name [?]:
trimethyl-[2-(octadecoxy-oxido-phosphoryl)oxyethyl]ammonium
SMILES [?]:
CCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
InChi [?]:
InChI=1/C23H50NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-27-29(25,26)28-23-21-24(2,3)4/h5-23H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,27,28,29,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,25,18,24,26,21,22,19,23,20/E:(2,3,4)(25,26)/CRV:24+1,26-1/rA:29cCCCCCCCCCCCCCCCCCCOPOO-OCCN+CCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;d20;s20;s20;s23;s24;s25;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H50NO4P
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:-15.8649
Area:809.934
Solvation:-36.1133
Coulombic:-27.1701
Bond Count [?]
All:28
Single:27
Double:1
Rotors:22
Chiral:0
Rigid Segments:12
Chemical Properties
Molecular Weight:435.621
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.0
LogP (Chemaxon):1.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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