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ψ-7977

ChemSpider ID: 26286922
Molecular Formula: C₂₂H₂₉FN₃O₉P
Average mass: 529.452515 Da
Monoisotopic mass: 529.162537 Da
Systematic name

isopropyl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyl-tetrahydrofuran-2-yl]methoxy-phenoxy-phosphoryl]amino]propanoate
SMILES and InChIs

SMILES:

C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)n2ccc(=O)[nH]c2=O)(C)F)O)Oc3ccccc3 Copied

Std. InChI:

InChI=1S/C22H29FN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16+,18+,20+,22+,36-/m0/s1 Copied

Std. InChIKey:

TTZHDVOVKQGIBA-IQWMDFIBSA-N Copied
Cite this record
CSID:26286922, http://www.chemspider.com/Chemical-Structure.26286922.html (accessed 16:32, Jun 19, 2013) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

ψ-7977

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

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