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Chemical ID: 5118405
Chemical ID:
5118405
Name [?]:
2-(6-amino-8-azido-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
SMILES [?]:
c1nc(c2c(n1)n(c(n2)N=[N+]=[N-])C3C(C(C(O3)CO)O)O)N
InChi [?]:
InChI=1/C10H12N8O4/c11-7-4-8(14-2-13-7)18(10(15-4)16-17-12)9-6(21)5(20)3(1-19)22-9/h2-3,5-6,9,19-21H,1H2,(H2,11,13,14)
InChi Info:
AuxInfo=1/1/N:18,1,16,4,15,14,3,5,13,8,22,12,2,6,9,10,11,7,19,20,21,17/CRV:17.5/rA:22cCNCCCNNCNNN+N-CCCCOCOOON/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;d10;d11;s7;s13;s14;s15;s13s16;s16;s18;s15;s14;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12N8O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 1.73197 |
Area: | 480.467 |
Solvation: | -10.2797 |
Coulombic: | -107.724 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 308.254 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 8 |
XLogP: | -2.54 |
LogP (Chemaxon): | -2.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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