Chemical ID: 6685513

C(C(C(C(=O)O)O)O)O
Chemical ID:
6685513
Name [?]:
2,3,4-trihydroxybutanoic acid
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)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,9,8,7,5,6/E:(8,9)/rA:9cCCCCOOOOO/rB:s1;s2;s3;d4;s4;s3;s2;s1;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C4H8O5
All Atoms:9
Heavy Atoms:9
Chiral Atoms:2
ZAP Information [?]
Total:1.86117
Area:280.064
Solvation:-5.14043
Coulombic:-75.9859
Bond Count [?]
All:8
Single:7
Double:1
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:136.103
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:-2.39
LogP (Chemaxon):-1.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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