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Chemical ID: 4559267
Chemical ID:
4559267
Name [?]:
6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol
SMILES [?]:
C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O
InChi [?]:
InChI=1/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2
InChi Info:
AuxInfo=1/0/N:1,9,2,10,3,11,12,4,13,5,14,6,23,22,19,18,21,17,20,16,8,15,7/rA:23cCCCCCCOOCCCCCCOOOOOOOOO/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s12;s13;s10s14;s14;s13;s12;s11;s5;s4;s3;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H22O11 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 10 |
ZAP Information [?]
Total: | -0.827424 |
Area: | 508.477 |
Solvation: | -13.5394 |
Coulombic: | -157.344 |
Bond Count [?]
All: | 24 |
Single: | 24 |
Double: | 0 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 342.296 |
H-Bond Donors: | 8 |
H-Bond Acceptors: | 11 |
XLogP: | -4.09 |
LogP (Chemaxon): | -2.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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