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Chemical ID: 6678992
Chemical ID:
6678992
Name [?]:
4-methoxy-6-methyl-tetrahydropyran-2,3,5-triol
SMILES [?]:
CC1C(C(C(C(O1)O)O)OC)O
InChi [?]:
InChI=1/C7H14O5/c1-3-4(8)6(11-2)5(9)7(10)12-3/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,3,5,4,6,12,9,8,10,7/rA:12cCCCCCCOOOOCO/rB:s1;s2;s3;s4;s5;s2s6;s6;s5;s4;s10;s3;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H14O5 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 1.16895 |
Area: | 321.435 |
Solvation: | -6.86692 |
Coulombic: | -65.6284 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 178.183 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | -1.33 |
LogP (Chemaxon): | -0.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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