Isopropyl ((S)-(perfluorophenoxy)(phenoxy)phosphoryl)-L-alaninate - CAS 1334513-02-8

Catalog: BB007763
Product Name: Isopropyl ((S)-(perfluorophenoxy)(phenoxy)phosphoryl)-L-alaninate
CAS: 1334513-02-8
Synonyms: (R)-Sofosbuvir Pentafluorophenoxy Analogue; N-[(S)-(2,3,4,5,6-Pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-Methylethyl Ester; (S)-isopropyl 2-(((S)-(perfluorophenoxy)(phenoxy)phosphoryl)amino)propanoate
Isopropyl ((S)-(perfluorophenoxy)(phenoxy)phosphoryl)-L-alaninate
IUPAC Name:propan-2-yl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate
Description:An impurity of Sofosbuvir. Sofosbuvir is a NS5B inhibtor used for the treatment of hepatitis C. It is only recommended with some combination of ribavirin, peginterferon-alfa, simeprevir, ledipasvir or daclatasvir.
Molecular Weight:453.30
Molecular Formula:C18H17F5NO5P
Canonical SMILES:CC(C)OC(=O)C(C)NP(=O)(OC1=CC=CC=C1)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI:InChI=1S/C18H17F5NO5P/c1-9(2)27-18(25)10(3)24-30(26,28-11-7-5-4-6-8-11)29-17-15(22)13(20)12(19)14(21)16(17)23/h4-10H,1-3H3,(H,24,26)/t10-,30-/m0/s1
InChI Key:MIILDBHEJQLACD-ZJPIPACBSA-N
Melting Point:133-135°C
Solubility:Soluble in Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance:White Solid
Storage:Store at -20°C
LogP:5.26860

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