Chemical ID: 4946759

c1cn(c(=O)[nH]c1=N)C2COC(O2)CO
Chemical ID:
4946759
Name [?]:
1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-4-imino-pyrimidin-2-one
SMILES [?]:
c1cn(c(=O)[nH]c1=N)C2COC(O2)CO
InChi [?]:
InChI=1/C8H11N3O4/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)
InChi Info:
AuxInfo=1/1/N:1,2,14,10,7,9,12,4,8,6,3,15,5,11,13/rA:15cCCNCONCNCCOCOCO/rB:d1;s2;s3;d4;s4;s1s6;w7;s3;s9;s10;s11;s9s12;s12;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H11N3O4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:3.86452
Area:369.005
Solvation:-5.3606
Coulombic:-73.1143
Bond Count [?]
All:16
Single:13
Double:3
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:213.191
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:-1.28
LogP (Chemaxon):-0.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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