Chemical ID: 6638104

c1c(c(cc(c1O)O)O)CC(C(=O)O)N
Chemical ID:
6638104
Name [?]:
2-amino-3-(2,4,5-trihydroxyphenyl)-propanoic acid
SMILES [?]:
c1c(c(cc(c1O)O)O)CC(C(=O)O)N
InChi [?]:
InChI=1/C9H11NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2-3,5,11-13H,1,10H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:10,1,4,2,11,3,6,5,12,15,9,7,8,13,14/E:(14,15)/rA:15cCCCCCCOOOCCCOON/rB:s1;d2;s3;d4;d1s5;s6;s5;s3;s2;s10;s11;d12;s12;s11;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11NO5
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:4.3299
Area:378.245
Solvation:-5.12623
Coulombic:-85.3467
Bond Count [?]
All:15
Single:11
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:213.187
H-Bond Donors:6
H-Bond Acceptors:6
XLogP:-2.59
LogP (Chemaxon):-2.0

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