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Chemical ID: 6688693
Chemical ID:
6688693
Name [?]:
2-(2,3-dihydroxypropoxy-oxido-phosphoryl)oxyethyl-trimethyl-ammonium
SMILES [?]:
C[N+](C)(C)CCOP(=O)([O-])OCC(CO)O
InChi [?]:
InChI=1/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,5,6,14,12,13,2,15,16,9,10,7,11,8/E:(1,2,3)(12,13)/CRV:9+1,13-1/rA:16cCN+CCCCOPOO-OCCCOO/rB:s1;s2;s2;s2;s5;s6;s7;d8;s8;s8;s11;s12;s13;s14;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H20NO6P |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -24.8517 |
Area: | 439.679 |
Solvation: | -35.8437 |
Coulombic: | -57.6946 |
Bond Count [?]
All: | 15 |
Single: | 14 |
Double: | 1 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 257.221 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | -4.01 |
LogP (Chemaxon): | -6.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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