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QSQ : Summary
Code ![](/pdbe/static/images/help.png)
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QSQ
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One-letter code ![](/pdbe/static/images/help.png)
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A
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Molecule name ![](/pdbe/static/images/help.png)
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[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-(trifluoromethyloxy)oxolan-2-yl]methyl dihydrogen phosphite
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C11 H13 F3 N5 O6 P
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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399.22 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
Nc1ncnc2n(cnc12)[CH]3O[CH](COP(O)O)[CH](O)[CH]3OC(F)(F)F |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(O)O)O)OC(F)(F)F)N |
Canonical SMILES
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CACTVS |
3.385 |
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](COP(O)O)[C@@H](O)[C@H]3OC(F)(F)F |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(O)O)O)OC(F)(F)F)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C11H13F3N5O6P/c12-11(13,14)25-7-6(20)4(1-23-26(21)22)24-10(7)19-3-18-5-8(15)16-2-17-9(5)19/h2-4,6-7,10,20-22H,1H2,(H2,15,16,17)/t4-,6-,7-,10-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | QTJSXSSMPAZFOY-KQYNXXCUSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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39 (26 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Ribonucleotide
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Type description ![](/pdbe/static/images/help.png)
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RNA linking
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Type code ![](/pdbe/static/images/help.png)
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ATOMN
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Is modified ![](/pdbe/static/images/help.png)
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Yes
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Standard parent ![](/pdbe/static/images/help.png)
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A
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Defined at ![](/pdbe/static/images/help.png)
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2020-07-31
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Last modified at ![](/pdbe/static/images/help.png)
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2020-12-11
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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