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Chemical ID: 6046563
Chemical ID:
6046563
Name [?]:
6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2,3,5-triol
SMILES [?]:
C(C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O
InChi [?]:
InChI=1/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2
InChi Info:
AuxInfo=1/0/N:17,1,15,2,14,3,13,12,5,4,6,11,18,23,19,22,20,21,9,8,7,16,10/rA:23cCCCCCCOOOOCCCCCOCOOOOOO/rB:s1;s2;s3;s4;s5;s2s6;s6;s5;s4;s10;s11;s12;s13;s14;s11s15;s15;s17;s14;s13;s12;s3;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H22O11 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 10 |
ZAP Information [?]
Total: | 0.059816 |
Area: | 501.975 |
Solvation: | -12.4896 |
Coulombic: | -158.582 |
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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