Chemical ID: 7342529

Cc1ccccc1OC2C(C(C(C(O2)CO)O)O)O
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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Descriptor Annotations

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