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Chemical ID: 5236191
Chemical ID:
5236191
Name [?]:
3-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,2,4-oxadiazole-5-carboxamide
SMILES [?]:
C(C1C(C(C(O1)c2nc(on2)C(=O)N)O)O)O
InChi [?]:
InChI=1/C8H11N3O6/c9-6(15)8-10-7(11-17-8)5-4(14)3(13)2(1-12)16-5/h2-5,12-14H,1H2,(H2,9,15)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,12,7,9,14,8,11,17,16,15,13,6,10/rA:17cCCCCCOCNCONCONOOO/rB:s1;s2;s3;s4;s2s5;s5;s7;d8;s9;d7s10;s9;d12;s12;s4;s3;s1;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H11N3O6 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 2.79411 |
Area: | 408.909 |
Solvation: | -7.42862 |
Coulombic: | -96.4528 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 245.19 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 6 |
XLogP: | -2.66 |
LogP (Chemaxon): | -1.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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