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Chemical ID: 6914875
Chemical ID:
6914875
Name [?]:
5-[[3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-2-(hydroxymethyl)tetrahydrofuran-2,3,4-triol
SMILES [?]:
C(C1C(C(C(O1)(CO)OCC2C(C(C(O2)(CO)O)O)O)O)O)O
InChi [?]:
InChI=1/C12H22O11/c13-1-5-7(16)10(19)12(4-15,23-5)21-2-6-8(17)9(18)11(20,3-14)22-6/h5-10,13-20H,1-4H2
InChi Info:
AuxInfo=1/0/N:1,10,16,7,2,11,3,12,13,4,14,5,23,17,8,22,20,19,21,18,9,15,6/rA:23cCCCCCOCOOCCCCCOCOOOOOOO/rB:s1;s2;s3;s4;s2s5;s5;s7;s5;s9;s10;s11;s12;s13;s11s14;s14;s16;s14;s13;s12;s4;s3;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H22O11 |
All Atoms: | 45 |
Heavy Atoms: | 23 |
Chiral Atoms: | 8 |
ZAP Information [?]
Total: | -2.35163 |
Area: | 517.499 |
Solvation: | -15.2891 |
Coulombic: | -156.95 |
Bond Count [?]
All: | 24 |
Single: | 24 |
Double: | 0 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 342.296 |
H-Bond Donors: | 8 |
H-Bond Acceptors: | 11 |
XLogP: | -4.18 |
LogP (Chemaxon): | -1.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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