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Chemical ID: 4663977
Chemical ID:
4663977
Name [?]:
[1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]ammonium
SMILES [?]:
c1cn(c(=O)nc1[NH3+])C2CC(C(O2)CO)O
InChi [?]:
InChI=1/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,10,14,11,12,7,9,4,8,6,3,15,16,5,13/rA:16cCCNCONCN+CCCCOCOO/rB:d1;s2;s3;d4;s4;s1d6;s7;s3;s9;s10;s11;s9s12;s12;s14;s11;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H14N3O4+ |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | -35.7639 |
Area: | 388.395 |
Solvation: | -45.4738 |
Coulombic: | -15.9282 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 228.225 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | -1.95 |
LogP (Chemaxon): | -0.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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