Chemical ID: 6918187

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O
Chemical ID:
6918187
Name [?]:
6-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2,3,4,5-tetrol
SMILES [?]:
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O
InChi [?]:
InChI=1/C12H22O10/c1-3-5(13)7(15)10(18)12(21-3)20-2-4-6(14)8(16)9(17)11(19)22-4/h3-19H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,2,10,3,11,4,12,13,5,14,6,22,19,21,18,17,20,16,8,7,15/rA:22cCCCCCCOOCCCCCCOOOOOOOO/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s12;s13;s10s14;s14;s13;s12;s11;s5;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H22O10
All Atoms:44
Heavy Atoms:22
Chiral Atoms:10
ZAP Information [?]
Total:3.7479
Area:503.877
Solvation:-8.84903
Coulombic:-145.902
Bond Count [?]
All:23
Single:23
Double:0
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:326.297
H-Bond Donors:7
H-Bond Acceptors:10
XLogP:-3.17
LogP (Chemaxon):-2.19

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Descriptor Annotations

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