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Chemical ID: 5171962
Chemical ID:
5171962
Name [?]:
5-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3-oxazine-2,4-dione
SMILES [?]:
c1c(c(=O)[nH]c(=O)o1)C2C(C(C(O2)CO)O)O
InChi [?]:
InChI=1/C9H11NO7/c11-1-4-5(12)6(13)7(17-4)3-2-16-9(15)10-8(3)14/h2,4-7,11-13H,1H2,(H,10,14,15)
InChi Info:
AuxInfo=1/1/N:14,1,2,12,11,10,9,3,6,5,15,16,17,4,7,8,13/rA:17cCCCONCOOCCCCOCOOO/rB:d1;s2;d3;s3;s5;d6;s1s6;s2;s9;s10;s11;s9s12;s12;s14;s11;s10;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11NO7 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 2.38778 |
Area: | 392.431 |
Solvation: | -7.423 |
Coulombic: | -96.7054 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 245.186 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | -2.2 |
LogP (Chemaxon): | -1.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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