Name: Name:1-IMidazolidinecarboxylic acid, 5-[[3-broMo-5-[(diethoxyphosphinyl)Methyl]phenyl]Methyl]-2-(1,1-diMethylethyl)-3-Methyl-4-oxo-, 1,1-diMethylethyl ester, (2S-trans)- (9CI)
Brand: Angene
SKU: AG00ABGU
Rating: 90 (10 reviews)

1-IMidazolidinecarboxylic acid, 5-[[3-broMo-5-[(diethoxyphosphinyl)Methyl]phenyl]Methyl]-2-(1,1-diMethylethyl)-3-Methyl-4-oxo-, 1,1-diMethylethyl ester, (2S-trans)- (9CI)

CAS No.:

174575-06-5

Catalog Number:

AG00ABGU

Molecular Formula:

C25H40BrN2O6P

Molecular Weight:

575.4727

Catalog Number:

AG00ABGU

Chemical Name:

1-IMidazolidinecarboxylic acid, 5-[[3-broMo-5-[(diethoxyphosphinyl)Methyl]phenyl]Methyl]-2-(1,1-diMethylethyl)-3-Methyl-4-oxo-, 1,1-diMethylethyl ester, (2S-trans)- (9CI)

CAS Number:

174575-06-5

Molecular Formula:

C25H40BrN2O6P

Molecular Weight:

575.4727

MDL Number:

MFCD26960984

IUPAC Name:

tert-butyl (2S,5S)-5-[[3-bromo-5-(diethoxyphosphorylmethyl)phenyl]methyl]-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate

InChI:

InChI=1S/C25H40BrN2O6P/c1-10-32-35(31,33-11-2)16-18-12-17(13-19(26)14-18)15-20-21(29)27(9)22(24(3,4)5)28(20)23(30)34-25(6,7)8/h12-14,20,22H,10-11,15-16H2,1-9H3/t20-,22-/m0/s1

InChI Key:

ORVKBYPBRNLDMD-UNMCSNQZSA-N

SMILES:

CCOP(=O)(Cc1cc(cc(c1)Br)C[C@H]1C(=O)N([C@@H](N1C(=O)OC(C)(C)C)C(C)(C)C)C)OCC

Complexity:

786

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

574.181g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

575.481g/mol

Monoisotopic Mass:

574.181g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.8