Chemical ID: 4313025

c1cc(ccc1C(=O)O)NC2C(C(C(CO2)O)O)O
Chemical ID:
4313025
Name [?]:
4-(3,4,5-trihydroxytetrahydropyran-2-yl)aminobenzoic acid
SMILES [?]:
c1cc(ccc1C(=O)O)NC2C(C(C(CO2)O)O)O
InChi [?]:
InChI=1/C12H15NO6/c14-8-5-19-11(10(16)9(8)15)13-7-3-1-6(2-4-7)12(17)18/h1-4,8-11,13-16H,5H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,15,6,3,14,13,12,11,7,10,17,18,19,8,9,16/E:(1,2)(3,4)(17,18)/rA:19cCCCCCCCOONCCCCCOOOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;s11;s12;s13;s14;s11s15;s14;s13;s12;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NO6
All Atoms:19
Heavy Atoms:19
Chiral Atoms:4
ZAP Information [?]
Total:5.21347
Area:445.438
Solvation:-5.92247
Coulombic:-98.6296
Bond Count [?]
All:20
Single:16
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:269.251
H-Bond Donors:5
H-Bond Acceptors:7
XLogP:-0.1
LogP (Chemaxon):0.01

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