Chemical ID: 6529587

C(C(C(C(C(=O)CO)O)O)O)O
Chemical ID:
6529587
Name [?]:
1,3,4,5,6-pentahydroxyhexan-2-one
SMILES [?]:
C(C(C(C(C(=O)CO)O)O)O)O
InChi [?]:
InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2
InChi Info:
AuxInfo=1/0/N:1,7,2,5,3,4,12,8,11,6,10,9/rA:12cCCCCCOCOOOOO/rB:s1;s2;s3;s4;d5;s5;s7;s4;s3;s2;s1;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H12O6
All Atoms:12
Heavy Atoms:12
Chiral Atoms:3
ZAP Information [?]
Total:-0.397213
Area:337.478
Solvation:-8.83416
Coulombic:-87.9816
Bond Count [?]
All:11
Single:10
Double:1
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:180.156
H-Bond Donors:5
H-Bond Acceptors:6
XLogP:-3.84
LogP (Chemaxon):-1.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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