Chemical ID: 6683653

C(C(C(C(=O)CO)O)O)O
Chemical ID:
6683653
Name [?]:
1,3,4,5-tetrahydroxypentan-2-one
SMILES [?]:
C(C(C(C(=O)CO)O)O)O
InChi [?]:
InChI=1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2
InChi Info:
AuxInfo=1/0/N:1,6,2,4,3,10,7,9,5,8/rA:10cCCCCOCOOOO/rB:s1;s2;s3;d4;s4;s6;s3;s2;s1;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H10O5
All Atoms:10
Heavy Atoms:10
Chiral Atoms:2
ZAP Information [?]
Total:0.462803
Area:305.175
Solvation:-7.16657
Coulombic:-72.1084
Bond Count [?]
All:9
Single:8
Double:1
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:150.13
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:-3.17
LogP (Chemaxon):-1.35

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