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UF2 : Summary
Code
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UF2
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One-letter code
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U
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Molecule name
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1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione
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Systematic names
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Formula
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C9 H12 F N2 O8 P
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Formal charge
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0
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Molecular weight
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326.172 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(F)C2O |
SMILES
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CACTVS |
3.370 |
O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O |
SMILES
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OpenEye OEToolkits |
1.7.2 |
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)F |
Canonical SMILES
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CACTVS |
3.370 |
O[C@H]1[C@H](F)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.2 |
C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F |
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IUPAC InChI | InChI=1S/C9H12FN2O8P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)12-2-1-5(13)11-9(12)15/h1-2,4,6-8,14H,3H2,(H,11,13,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1 |
IUPAC InChI key | RTGGYPQTXNSBPD-PXBUCIJWSA-N |
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wwPDB Information |
Atom count
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33 (21 without Hydrogen)
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Polymer type
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Deoxy ribonucleotide
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Type description
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DNA LINKING
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Type code
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ATOMN
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Is modified
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Yes
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Standard parent
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DU
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Defined at
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2011-11-04
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Last modified at
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2020-06-17
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Status
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Released
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Obsoleted
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Not Assigned
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