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Chemical ID: 7342529
Chemical ID:
7342529
Name [?]:
2-(hydroxymethyl)-6-(2-methylphenoxy)-tetrahydropyran-3,4,5-triol
SMILES [?]:
Cc1ccccc1OC2C(C(C(C(O2)CO)O)O)O
InChi [?]:
InChI=1/C13H18O6/c1-7-4-2-3-5-8(7)18-13-12(17)11(16)10(15)9(6-14)19-13/h2-5,9-17H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,15,2,7,13,12,11,10,9,16,17,18,19,8,14/rA:19cCCCCCCCOCCCCCOCOOOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s9s13;s13;s15;s12;s11;s10;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18O6 |
All Atoms: | 37 |
Heavy Atoms: | 19 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 4.22113 |
Area: | 431.528 |
Solvation: | -6.56707 |
Coulombic: | -85.1932 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 270.278 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 0.11 |
LogP (Chemaxon): | 0.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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