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Chemical ID: 5788714
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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