chempirical

Sofosbuvir

C22H29FN3O9PCAS 1190307-88-0529.46 g/mol

Open in Covalent MOL file
OOHNPOOONOHNOFHOO
AlcoholAlkyl halideEsterEtherPhenol

Properties

Molecular formula
C22H29FN3O9P
Molar mass
529.46 g/mol
Exact mass
529.1625 Da
logP
2.07Crippen estimate
Polar surface area
158.4 Ų
H-bond donors / acceptors
3 / 10
Rotatable bonds
10
Stereocentres
S, S, R, R, R, Rin SMILES atom order

Identifiers

CAS number
1190307-88-0
SMILES
CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(O)nc2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1
InChIKey
TTZHDVOVKQGIBA-IQWMDFIBSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • L-Alanine, N-[[P(S),2′R]-2′-deoxy-2′-fluoro-2′-methyl-P-phenyl-5′-uridylyl]-, 1-methylethyl ester
  • PSI 7977
  • GS 7977
  • Sovaldi
  • Hepcinat
  • Resof
  • Hepcvir
  • Sovihep
  • 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]propionate

Work with Sofosbuvir

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 74111015073-43-458 % similar (2′R)-2′-Deoxy-2′-fluoro-2′-methyluridine863329-66-252 % similar Sofosbuvir metabolites gs5665001233335-78-845 % similar N-[(S)-(2,3,4,5,6-Pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-methylethyl ester1334513-02-843 % similar Remdesivir1809249-37-338 % similar Diquafosol59985-21-636 % similar Uridine monophosphate58-97-936 % similar Disodium ump3387-36-836 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Psi-79761190308-01-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook