Name: Name:N-[(S)-(2,3,4,5,6-Pentafluorophenoxy)phenoxyphosphinyl]-l-alanine 1-methylethyl ester
Brand: Angene
SKU: AG000O8S
Rating: 90 (10 reviews)

N-[(S)-(2,3,4,5,6-Pentafluorophenoxy)phenoxyphosphinyl]-l-alanine 1-methylethyl ester

CAS No.:

1256490-52-4

Catalog Number:

AG000O8S

Molecular Formula:

C18H17F5NO5P

Molecular Weight:

453.2971

Catalog Number:

AG000O8S

Chemical Name:

N-[(S)-(2,3,4,5,6-Pentafluorophenoxy)phenoxyphosphinyl]-l-alanine 1-methylethyl ester

CAS Number:

1256490-52-4

Molecular Formula:

C18H17F5NO5P

Molecular Weight:

453.2971

MDL Number:

MFCD22665799

IUPAC Name:

propan-2-yl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate

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-KPORQTCDSA-N

SMILES:

CC(OC(=O)[C@@H](NP(=O)(Oc1c(F)c(F)c(c(c1F)F)F)Oc1ccccc1)C)C

EC Number:

695-076-0

Complexity:

608

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

453.076g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

453.302g/mol

Monoisotopic Mass:

453.076g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.5