Chemical ID: 5788714

c1nc2c(n1C3C(CC(O3)CO)O)[nH]c(nc2=O)N
Chemical ID:
5788714
Name [?]:
2-amino-9-[3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one
SMILES [?]:
c1nc2c(n1C3C(CC(O3)CO)O)[nH]c(nc2=O)N
InChi [?]:
InChI=1/C10H13N5O4/c11-10-13-7-6(8(18)14-10)12-3-15(7)9-5(17)1-4(2-16)19-9/h3-5,9,16-17H,1-2H2,(H3,11,13,14,18)
InChi Info:
AuxInfo=1/1/N:8,11,1,9,7,3,4,17,6,15,19,2,14,16,5,12,13,18,10/rA:19cCNCCNCCCCOCOONCNCON/rB:d1;s2;d3;s1s4;s5;s6;s7;s8;s6s9;s9;s11;s7;s4;s14;d15;s3s16;d17;s15;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13N5O4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:3
ZAP Information [?]
Total:5.05443
Area:433.401
Solvation:-5.78061
Coulombic:-96.6869
Bond Count [?]
All:21
Single:17
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:267.242
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:-1.14
LogP (Chemaxon):-2.41

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