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Chemical ID: 5245890
Chemical ID:
5245890
Name [?]:
cyclohexane-1,2,3,4,5-pentol
SMILES [?]:
C1C(C(C(C(C1O)O)O)O)O
InChi [?]:
InChI=1/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,4,11,7,10,8,9/E:(2,3)(4,5)(7,8)(9,10)/rA:11cCCCCCCOOOOO/rB:s1;s2;s3;s4;s1s5;s6;s5;s4;s3;s2;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H12O5 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 0.415088 |
Area: | 295.197 |
Solvation: | -6.96483 |
Coulombic: | -80.8958 |
Bond Count [?]
All: | 11 |
Single: | 11 |
Double: | 0 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 164.156 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 5 |
XLogP: | -1.93 |
LogP (Chemaxon): | -1.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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