Chemical ID: 4732730

C(C(C(C(=O)[O-])O)O)O
Chemical ID:
4732730
Name [?]:
2,3,4-trihydroxybutanoate
SMILES [?]:
C(C(C(C(=O)[O-])O)O)O
InChi [?]:
InChI=1/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,3,4,9,8,7,5,6/E:(8,9)/rA:9cCCCCOO-OOO/rB:s1;s2;s3;d4;s4;s3;s2;s1;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C4H7O5-
All Atoms:9
Heavy Atoms:9
Chiral Atoms:2
ZAP Information [?]
Total:-37.7286
Area:278.419
Solvation:-44.6891
Coulombic:-51.3059
Bond Count [?]
All:8
Single:7
Double:1
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:135.095
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:-2.88
LogP (Chemaxon):-1.34

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue