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Chemical ID: 6046605
Chemical ID:
6046605
Name [?]:
2-hexoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
SMILES [?]:
CCCCCCOC1C(C(C(C(O1)CO)O)O)O
InChi [?]:
InChI=1/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,6,14,12,11,10,9,8,15,16,17,18,7,13/rA:18cCCCCCCOCCCCCOCOOOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s8s12;s12;s14;s11;s10;s9;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H24O6 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 5.33845 |
Area: | 474.695 |
Solvation: | -6.52893 |
Coulombic: | -85.5955 |
Bond Count [?]
All: | 18 |
Single: | 18 |
Double: | 0 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 264.315 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 0.45 |
LogP (Chemaxon): | 0.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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