Chemical ID: 6678992

CC1C(C(C(C(O1)O)O)OC)O
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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