AG00ILR0

90776-59-3 | (4R,5R,6S)-4-Nitrobenzyl 3-((diphenoxyphosphoryl)oxy)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

AG00ILR0

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CAS Number	90776-59-3
Catalog Number	AG00ILR0(AGN-PC-0VR3WR)
Chemical Name	(4R,5R,6S)-4-Nitrobenzyl 3-((diphenoxyphosphoryl)oxy)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
IUPAC Name	(4-nitrophenyl)methyl (4R,5R,6S)-3-diphenoxyphosphoryloxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
InChI	InChI=1S/C29H27N2O10P/c1-18-25-24(19(2)32)28(33)30(25)26(29(34)38-17-20-13-15-21(16-14-20)31(35)36)27(18)41-42(37,39-22-9-5-3-6-10-22)40-23-11-7-4-8-12-23/h3-16,18-19,24-25,32H,17H2,1-2H3/t18-,19-,24-,25-/m1/s1
InChI Key	STULDTCHQXVRIX-PIYXRGFCSA-N
MDL Number	MFCD01318092
Molecular Formula	C29H27N2O10P
Molecular Weight	594.5058
SMILES	O=C(C(N12)=C(OP(OC3=CC=CC=C3)(OC4=CC=CC=C4)=O)[C@H](C)[C@]2([H])[C@@H]([C@H](O)C)C1=O)OCC5=CC=C([N+]([O-])=O)C=C5
Synonyms	90776-59-3, beta-Methyl vinyl phosphate, beta-Methyl vinyl phosphate (MAP), beta-Methyl vinyl phosphate(MAP), P-Nitrobenzyl (4R,5S,6S)-3-(diphenyloxy)phosphoryloxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3,2,0]hept-2-ene-2-carboxylate, Q-101266, (4-nitrophenyl)methyl (4R,5R,6S)-3-[(diphenoxyphosphoryl)oxy]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate, (4R,5R,6S)-4-Nitrobenzyl 3-(diphenoxyphosphoryloxy)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate, (4R,5R,6S)-4-Nitrobenzyl 3-((diphenoxyphosphoryl)oxy)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate, STULDTCHQXVRIX-PIYXRGFCSA-N, AK-49159, 3-(Diphenoxy-phosphoryloxy)-6-(1-hy, PubChem15682, c acid 4-nitro-benzyl ester, SCHEMBL337697, DTXSID00437857, ACT02863, EBD22083, AC-375, MFCD01318092, ZINC59796878, AKOS015919508, ACN-048345, droxy-ethyl)-4-methyl-7-oxo-1-aza-b, DS-1598, RP17792, icyclo[3.2.0]hept-2-ene-2-carboxyli, AN-15914, BC209028, BR-49159, SC-13507, TL8005826, FT-0642185, ST24024670, S-1921, 776M593, p-nitrobenzyl (1r,5r,6s)-6-[(1r)-1-hydroxyethyl]-2-, 4-NITROBENZYL-(1R,5R,6S)-6-[(1R)-1-HYDROXYETHYL]-2, 4-Nitrobenzyl (4R,5S,6S)-3-(Diphenyloxy)phosphoryloxy-6-[(1R)-1-hydroxyethyl]-4-, (4-nitrophenyl)methyl (4R,5R,6S)-3-diphenoxyphosphoryloxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate, (4R,5R)-4alpha-Methyl-6beta-[(R)-1-hydroxyethyl]-3-(diphenoxyphosphinyloxy)-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylic acid 4-nitrobenzyl ester, (4R,5R,6S)-3-[(Diphenoxyphosphinyl)oxy]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid (4-Nitrophenyl)methyl Ester, (4R,5R,6S)-4-NitroBzl 3-(diphenoxyphosphoryloxy)-6-((R)-1-OH-Et)-4-Me-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate, (4R,5S,6S)-3-(Diphenyloxy)phosphoryloxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3,2,0]hept-2-ene-2-carboxylate, (4R5R6S)-4-Nitrobenzyl 3-((diphenoxyphosphoryl)oxy)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate, 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[(diphenoxyphosphinyl)oxy]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, (4-nitrophenyl)methyl ester, (4R,5R,6S)-, 3-(DIPHENOXY-PHOSPHORYLOXY)-6-(1-HYDROXY-ETHYL)-4-METHYL-7-OXO-1-AZA-BICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID 4-NITRO-BENZYL ESTER, 4-nitrobenzyl (4R,5R,6S)-3-((diphenoxyphosphoryl)oxy)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate, 4-nitrobenzyl (4R,5R,6S)-3-[(diphenoxyphosphoryl)oxy]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate, 4-NITROBENZYL (4R,5S,6S)-3-(DIPHENYLOXY)PHOSPHORYLOXY-6-[(1R)-1-HYDROXYETHYL]-4-METHYL-7-OXO-1-AZABICYCLO[3,2,0]HEPT-2-ENE-2-CARBOXYLATE, 4-Nitrobenzyl (4R,5S,6S)-3-[(Diphenylphosphono)oxy]-6-[(R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate, 4-NITROBENZYL-(1R,5R,6S)-6-[(1R)-1-HYDROXYETHYL]-2-[(DIPHENYLPHOSPHONO)OXY]-1-METHYLCARBAPEN-2-EM-3-CARBOXYLIC ACID, 4-Nitrobenzyl-(1R,5R,6S)-6-[(1R)-1-hydroxyethyl]-2[(diphenylphosphono)oxy]-1-methylcarbapen-2-em-3-carboxylic acid, p-nitrobenzyl (1R,5R,6S)-6-[(1R)-1-hydroxyethyl]-2-[(diphenylphosphono)oxy]-1-methylcarbapen-2em-3-carboxylate, p-Nitrobenzyl-(1R,5R,6S)-6-[(1R)-1-hydroxyethyl]-2-[diphenylphosphono)oxy]-1-methylcarbapen-2-em-3-carboxylate, CID 9894828, CID10304013, MAP,

Complexity	1060
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	594.14g/mol
Formal Charge	0
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	594.513g/mol
Monoisotopic Mass	594.14g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	157A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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