Chemical ID: 5788542

c1cn(c(=O)nc1NN)C2C(C(C(O2)CO)O)O
Chemical ID:
5788542
Name [?]:
1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-hydrazino-pyrimidin-2-one
SMILES [?]:
c1cn(c(=O)nc1NN)C2C(C(C(O2)CO)O)O
InChi [?]:
InChI=1/C9H14N4O5/c10-12-5-1-2-13(9(17)11-5)8-7(16)6(15)4(3-14)18-8/h1-2,4,6-8,14-16H,3,10H2,(H,11,12,17)
InChi Info:
AuxInfo=1/1/N:1,2,15,13,7,12,11,10,4,9,6,8,3,16,17,18,5,14/rA:18cCCNCONCNNCCCCOCOOO/rB:d1;s2;s3;d4;s4;s1d6;s7;s8;s3;s10;s11;s12;s10s13;s13;s15;s12;s11;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H14N4O5
All Atoms:18
Heavy Atoms:18
Chiral Atoms:4
ZAP Information [?]
Total:2.6616
Area:414.913
Solvation:-7.71123
Coulombic:-98.7772
Bond Count [?]
All:19
Single:16
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:258.231
H-Bond Donors:6
H-Bond Acceptors:7
XLogP:-3.19
LogP (Chemaxon):-0.77

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue