Sofosbuvir metabolites gs566500

C13H19FN3O9PCAS 1233335-78-8411.28 g/mol

Open in Covalent MOL file
OOHNHPOOHOONONHOFHO
AlcoholAlkyl halideCarboxylic acidEther

Properties

Molecular formula
C13H19FN3O9P
Molar mass
411.28 g/mol
Exact mass
411.0843 Da
logP
-1.30Crippen estimate
Polar surface area
180.2 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
7
Stereocentres
S, R, R, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1233335-78-8
SMILES
C[C@@H](C(=O)O)NP(=O)(O)OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)F)O
InChIKey
UOYKQCZOTUPGRY-UARFSYEXSA-N
InChI
InChI=1S/C13H19FN3O9P/c1-6(10(20)21)16-27(23,24)25-5-7-9(19)13(2,14)11(26-7)17-4-3-8(18)15-12(17)22/h3-4,6-7,9,11,19H,5H2,1-2H3,(H,20,21)(H,15,18,22)(H2,16,23,24)/t6-,7+,9+,11+,13+/m0/s1

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Names and synonyms

1 names
  • L-Alanine, N-((2'R)-2'-deoxy-2'-fluoro-2'-methyl-5'-uridylyl)-

Work with Sofosbuvir metabolites gs566500

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Psi-79761190308-01-062 % similar Sofosbuvir D61868135-06-160 % similar PSI 74111015073-43-445 % similar Sofosbuvir1190307-88-045 % similar 2'-C-Methyluridine31448-54-143 % similar Urate oxidase9002-12-438 % similar Diquafosol tetrasodium211427-08-638 % similar (2′R)-2′-Deoxy-2′-fluoro-2′-methyluridine863329-66-236 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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