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Chemical ID: 7225218
Chemical ID:
7225218
Name [?]:
2-(6-amino-1H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
SMILES [?]:
c1[nH+]c(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N
InChi [?]:
InChI=1/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/p+1
InChi Info:
AuxInfo=1/1/N:15,1,8,13,4,12,11,3,5,10,19,2,6,9,7,16,17,18,14/rA:19cCN+CCCNNCNCCCCOCOOON/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s7;s10;s11;s12;s10s13;s13;s15;s12;s11;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14N5O4+ |
All Atoms: | 33 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -28.5078 |
Area: | 431.884 |
Solvation: | -39.3049 |
Coulombic: | -82.053 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -1.63 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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