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Chemical ID: 6046554
Chemical ID:
6046554
Name [?]:
2-methyl-6-[2,3,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-tetrahydropyran-3,4,5-triol
SMILES [?]:
CC1C(C(C(C(O1)OC2C(C(OC(C2O)O)CO)O)O)O)O
InChi [?]:
InChI=1/C12H22O10/c1-3-5(14)7(16)8(17)12(20-3)22-10-6(15)4(2-13)21-11(19)9(10)18/h3-19H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,2,11,3,10,4,5,14,9,13,6,18,22,19,21,20,15,16,7,12,8/rA:22cCCCCCCOOCCCOCCOOCOOOOO/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s12;s9s13;s14;s13;s11;s17;s10;s5;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H22O10 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 10 |
ZAP Information [?]
Total: | 0.196227 |
Area: | 490.419 |
Solvation: | -12.0642 |
Coulombic: | -141.304 |
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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