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Chemical ID: 5235726
Chemical ID:
5235726
Name [?]:
2-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,2,4-oxadiazolidine-3,5-dione
SMILES [?]:
C(C1C(C(C(O1)n2c(=O)[nH]c(=O)o2)O)O)O
InChi [?]:
InChI=1/C7H10N2O7/c10-1-2-3(11)4(12)5(15-2)9-6(13)8-7(14)16-9/h2-5,10-12H,1H2,(H,8,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,8,11,10,7,16,15,14,9,12,6,13/rA:16cCCCCCONCONCOOOOO/rB:s1;s2;s3;s4;s2s5;s5;s7;d8;s8;s10;d11;s7s11;s4;s3;s1;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H10N2O7 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 2.29142 |
Area: | 376.264 |
Solvation: | -7.11518 |
Coulombic: | -99.4543 |
Bond Count [?]
All: | 17 |
Single: | 15 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 234.164 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | -2.53 |
LogP (Chemaxon): | -1.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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