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Chemical ID: 6529587
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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