Chemical ID: 5140399

CC(C(C(C(=O)C=O)O)O)O
Chemical ID:
5140399
Name [?]:
3,4,5-trihydroxy-2-oxo-hexanal
SMILES [?]:
CC(C(C(C(=O)C=O)O)O)O
InChi [?]:
InChI=1/C6H10O5/c1-3(8)5(10)6(11)4(9)2-7/h2-3,5-6,8,10-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,2,5,3,4,8,11,6,10,9/rA:11cCCCCCOCOOOO/rB:s1;s2;s3;s4;d5;s5;d7;s4;s3;s2;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H10O5
All Atoms:11
Heavy Atoms:11
Chiral Atoms:3
ZAP Information [?]
Total:1.05235
Area:316.253
Solvation:-6.85397
Coulombic:-63.375
Bond Count [?]
All:10
Single:8
Double:2
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:162.141
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:-2.24
LogP (Chemaxon):-0.51

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Experimental Annotations

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Descriptor Annotations

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