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F5J : Summary
Code ![](/pdbe/static/images/help.png)
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F5J
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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7-[(5R)-5-C-phenyl-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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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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C17 H18 N4 O4
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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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342.349 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
c2cc1c(ncnc1n2C4C(C(O)C(C(c3ccccc3)O)O4)O)N |
SMILES
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CACTVS |
3.385 |
Nc1ncnc2n(ccc12)[CH]3O[CH]([CH](O)[CH]3O)[CH](O)c4ccccc4 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1ccc(cc1)C(C2C(C(C(O2)n3ccc4c3ncnc4N)O)O)O |
Canonical SMILES
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CACTVS |
3.385 |
Nc1ncnc2n(ccc12)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)[C@H](O)c4ccccc4 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1ccc(cc1)[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc4c3ncnc4N)O)O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C17H18N4O4/c18-15-10-6-7-21(16(10)20-8-19-15)17-13(24)12(23)14(25-17)11(22)9-4-2-1-3-5-9/h1-8,11-14,17,22-24H,(H2,18,19,20)/t11-,12+,13-,14-,17-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | WWOOWAHTEXIWBO-QFRSUPTLSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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43 (25 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2018-02-28
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Last modified at ![](/pdbe/static/images/help.png)
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2018-05-11
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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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