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Chemical ID: 6914825
Chemical ID:
6914825
Name [?]:
6-[(3,4,5-trihydroxytetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2,3,4,5-tetrol
SMILES [?]:
C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O
InChi [?]:
InChI=1/C11H20O10/c12-3-1-19-11(9(17)5(3)13)20-2-4-6(14)7(15)8(16)10(18)21-4/h3-18H,1-2H2
InChi Info:
AuxInfo=1/0/N:1,8,2,9,3,10,11,12,4,13,5,21,20,18,17,16,19,15,6,7,14/rA:21cCCCCCOOCCCCCCOOOOOOOO/rB:s1;s2;s3;s4;s1s5;s5;s7;s8;s9;s10;s11;s12;s9s13;s13;s12;s11;s10;s4;s3;s2;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H20O10 |
All Atoms: | 41 |
Heavy Atoms: | 21 |
Chiral Atoms: | 9 |
ZAP Information [?]
Total: | 2.96267 |
Area: | 484.401 |
Solvation: | -9.14734 |
Coulombic: | -145.426 |
Bond Count [?]
All: | 22 |
Single: | 22 |
Double: | 0 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 312.271 |
H-Bond Donors: | 7 |
H-Bond Acceptors: | 10 |
XLogP: | -3.63 |
LogP (Chemaxon): | -2.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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