AG00ILO4

1334513-02-8 | (S)-isopropyl 2-(((S)-(perfluorophenoxy)(phenoxy)phosphoryl)amino)propanoate

AG00ILO4

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CAS Number	1334513-02-8
Catalog Number	AG00ILO4(AGN-PC-0WAIY0)
Chemical Name	(S)-isopropyl 2-(((S)-(perfluorophenoxy)(phenoxy)phosphoryl)amino)propanoate
EC Number	695-076-0
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-ZJPIPACBSA-N
MDL Number	MFCD22665799
Molecular Formula	C18H17F5NO5P
Molecular Weight	453.2971
SMILES	C[C@H](N[P@](OC1=CC=CC=C1)(OC2=C(F)C(F)=C(F)C(F)=C2F)=O)C(OC(C)C)=O
Synonyms	1334513-02-8, (S)-isopropyl 2-(((S)-(perfluorophenoxy)(phenoxy)phosphoryl)amino)propanoate, propan-2-yl (2S)-2-{[(S)-pentafluorophenoxy(phenoxy)phosphoryl]amino}propanoate, N-[(S)-(2,3,4,5,6-Pentafluorophenoxy)Phenoxyphosphinyl]-L-Alanine 1-Methylethyl Ester, MFCD22665799, AK170354, SCHEMBL2510990, MIILDBHEJQLACD-ZJPIPACBSA-N, N-((S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl)-l-alanine 1-methylethyl ester, CS-B0630, ZINC95080021, AKOS025286071, propan-2-yl (2S)-2-{[(S)-, CM14182, PB11574, PB35955, SC-95964, pentafluorophenoxy(phenoxy)phosphoryl]amino}propanoate, propan-2-yl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy, isopropyl ((S)-(perfluorophenoxy)(phenoxy)phosphoryl)-L-alaninate, Isopropyl N-[(S)-(pentafluorophenoxy)(phenoxy)phosphoryl]-L-alaninate, (S)-isopropyl 2-(((S)-(perfluorophenoxy)(phenoxy)phosphoryl)-amino)propanoate, ACN-028563, Propan-2-yl N-[(S)-(pentafluorophenoxy)(phenoxy)-phosphoryl]-L-alanine, L-Alanine, N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-, 1-methylethyl ester, N-[(S)-(2,3,4,5,6-Pentafluorophenoxy)phenoxyphosphinyl]-L-alanine1-methylethyl ester,

Complexity	608
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	453.076g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	453.302g/mol
Monoisotopic Mass	453.076g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	73.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H332-H335
Packing Group	\N
Precautionary statements	P280-P305+P351+P338-P310
UN Code	\N

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