Chemical ID: 4663977

c1cn(c(=O)nc1[NH3+])C2CC(C(O2)CO)O
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

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