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Chemical ID: 3965371
Chemical ID:
3965371
Name [?]:
2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3,4,5-triol
SMILES [?]:
COC1C(C(C(C(O1)CO)O)O)O
InChi [?]:
InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,7,6,5,4,3,10,11,12,13,2,8/rA:13cCOCCCCCOCOOOO/rB:s1;s2;s3;s4;s5;s6;s3s7;s7;s9;s6;s5;s4;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H14O6 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 1.84662 |
Area: | 340.269 |
Solvation: | -6.6601 |
Coulombic: | -83.9666 |
Bond Count [?]
All: | 13 |
Single: | 13 |
Double: | 0 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 194.182 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | -2.04 |
LogP (Chemaxon): | -1.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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