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Chemical ID: 3967203
Chemical ID:
3967203
Name [?]:
4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyhexane-1,2,3,5,6-pentaol
SMILES [?]:
C(C1C(C(C(C(O1)OC(C(CO)O)C(C(CO)O)O)O)O)O)O
InChi [?]:
InChI=1/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2
InChi Info:
AuxInfo=1/0/N:16,11,1,15,10,2,14,3,4,5,9,6,17,12,23,18,13,19,22,21,20,7,8/rA:23cCCCCCCOOCCCOOCCCOOOOOOO/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s10;s9;s14;s15;s16;s15;s14;s5;s4;s3;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H24O11 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 9 |
ZAP Information [?]
Total: | 0.302898 |
Area: | 505.941 |
Solvation: | -12.3456 |
Coulombic: | -167.217 |
Bond Count [?]
All: | 23 |
Single: | 23 |
Double: | 0 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 344.312 |
H-Bond Donors: | 9 |
H-Bond Acceptors: | 11 |
XLogP: | -5.43 |
LogP (Chemaxon): | -3.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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