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Chemical ID: 3967204
Chemical ID:
3967204
Name [?]:
2-[4,5-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
SMILES [?]:
C(C1C(C(C(C(O1)OC2C(OC(C2O)(CO)O)CO)O)O)O)O
InChi [?]:
InChI=1/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2
InChi Info:
AuxInfo=1/0/N:1,18,15,2,10,3,4,5,9,13,6,12,23,19,16,22,21,20,14,17,7,8,11/rA:23cCCCCCCOOCCOCCOCOOCOOOOO/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s9s12;s13;s12;s15;s12;s10;s18;s5;s4;s3;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H22O11 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 9 |
ZAP Information [?]
Total: | -1.35505 |
Area: | 514.622 |
Solvation: | -14.2206 |
Coulombic: | -157.145 |
Bond Count [?]
All: | 24 |
Single: | 24 |
Double: | 0 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 342.296 |
H-Bond Donors: | 8 |
H-Bond Acceptors: | 11 |
XLogP: | -4.35 |
LogP (Chemaxon): | -2.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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