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Chemical ID: 6693196
Chemical ID:
6693196
Name [?]:
2,3,4,5-tetrahydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanal
SMILES [?]:
C(C1C(C(C(C(O1)OCC(C(C(C(C=O)O)O)O)O)O)O)O)O
InChi [?]:
InChI=1/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h1,4-12,14-21H,2-3H2
InChi Info:
AuxInfo=1/0/N:14,1,9,13,10,2,12,11,3,4,5,6,15,23,16,19,17,18,22,21,20,8,7/rA:23cCCCCCCOOCCCCCCOOOOOOOOO/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s12;s13;d14;s13;s12;s11;s10;s5;s4;s3;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H22O11 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 9 |
ZAP Information [?]
Total: | -1.6141 |
Area: | 529.969 |
Solvation: | -14.8633 |
Coulombic: | -153.626 |
Bond Count [?]
All: | 23 |
Single: | 22 |
Double: | 1 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 342.296 |
H-Bond Donors: | 8 |
H-Bond Acceptors: | 11 |
XLogP: | -4.86 |
LogP (Chemaxon): | -3.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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