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Chemical ID: 5788867
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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