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Chemical ID: 6918187
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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