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Chemical ID: 3966211
Chemical ID:
3966211
Name [?]:
2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol
SMILES [?]:
C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O
InChi [?]:
InChI=1/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2
InChi Info:
AuxInfo=1/0/N:1,15,2,13,3,12,4,11,5,10,6,9,23,16,22,17,21,18,20,19,7,14,8/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/rA:23cCCCCCCOOCCCCCOCOOOOOOOO/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s12;s9s13;s13;s15;s12;s11;s10;s5;s4;s3;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H22O11 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 10 |
ZAP Information [?]
Total: | -0.171357 |
Area: | 500.497 |
Solvation: | -12.6838 |
Coulombic: | -158.79 |
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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