Chemical ID: 5788867

c1nc2c(n1C3C(C(C(O3)CO)O)O)[nH]c(nc2=S)N
Chemical ID:
5788867
Name [?]:
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-6-thione
SMILES [?]:
c1nc2c(n1C3C(C(C(O3)CO)O)O)[nH]c(nc2=S)N
InChi [?]:
InChI=1/C10H13N5O4S/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,20)
InChi Info:
AuxInfo=1/1/N:11,1,9,3,8,7,4,18,6,16,20,2,15,17,5,12,13,14,10,19/rA:20cCNCCNCCCCOCOOONCNCSN/rB:d1;s2;d3;s1s4;s5;s6;s7;s8;s6s9;s9;s11;s8;s7;s4;s15;d16;s3s17;d18;s16;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13N5O4S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:4
ZAP Information [?]
Total:4.98882
Area:462.437
Solvation:-6.5721
Coulombic:-103.624
Bond Count [?]
All:22
Single:18
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:299.308
H-Bond Donors:5
H-Bond Acceptors:5
XLogP:-1.27
LogP (Chemaxon):-2.1

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Descriptor Annotations

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