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Chemical ID: 6693216
Chemical ID:
6693216
Name [?]:
2,3,4,5,6,7-hexahydroxyheptanal
SMILES [?]:
C(C(C(C(C(C(C=O)O)O)O)O)O)O
InChi [?]:
InChI=1/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h1,3-7,9-14H,2H2
InChi Info:
AuxInfo=1/0/N:7,1,6,2,5,3,4,8,14,9,13,10,12,11/rA:14cCCCCCCCOOOOOOO/rB:s1;s2;s3;s4;s5;s6;d7;s6;s5;s4;s3;s2;s1;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H14O7 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | -0.893993 |
Area: | 367.659 |
Solvation: | -10.0855 |
Coulombic: | -103.68 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 210.182 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 7 |
XLogP: | -4.0 |
LogP (Chemaxon): | -2.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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