Chemical ID: 5036989

C(C(C(C(=O)O)O)O)C(C(=O)O)O
Chemical ID:
5036989
Name [?]:
2,3,5-trihydroxyhexanedioic acid
SMILES [?]:
C(C(C(C(=O)O)O)O)C(C(=O)O)O
InChi [?]:
InChI=1/C6H10O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2-4,7-9H,1H2,(H,10,11)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,9,3,10,4,8,13,7,11,12,5,6/E:(10,11)(12,13)/rA:13cCCCCOOOOCCOOO/rB:s1;s2;s3;d4;s4;s3;s2;s1;s9;d10;s10;s9;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H10O7
All Atoms:13
Heavy Atoms:13
Chiral Atoms:3
ZAP Information [?]
Total:3.1586
Area:355.697
Solvation:-5.73381
Coulombic:-103.163
Bond Count [?]
All:12
Single:10
Double:2
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:194.139
H-Bond Donors:5
H-Bond Acceptors:7
XLogP:-2.55
LogP (Chemaxon):-1.56

Name Annotations

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Descriptor Annotations

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