Chemical ID: 6688693

C[N+](C)(C)CCOP(=O)([O-])OCC(CO)O
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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Descriptor Annotations

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