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Chemical ID: 5262820
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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