AG008AOV

888504-27-6 | Methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate

AG008AOV

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CAS Number	888504-27-6
Catalog Number	AG008AOV(AGN-PC-0VO20O)
Chemical Name	Methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate
EC Number	922-554-0
IUPAC Name	methyl 5-hydroxy-1-methyl-6-oxo-2-[2-(phenylmethoxycarbonylamino)propan-2-yl]pyrimidine-4-carboxylate
InChI	InChI=1S/C18H21N3O6/c1-18(2,20-17(25)27-10-11-8-6-5-7-9-11)16-19-12(15(24)26-4)13(22)14(23)21(16)3/h5-9,22H,10H2,1-4H3,(H,20,25)
InChI Key	SNDXNBICJATRDW-UHFFFAOYSA-N
MDL Number	MFCD10698809
Molecular Formula	C18H21N3O6
Molecular Weight	375.3758
SMILES	O=C(C(N=C(C(NC(OCC1=CC=CC=C1)=O)(C)C)N2C)=C(O)C2=O)OC
Synonyms	888504-27-6, Methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate, 1,6-DIHYDRO-5-HYDROXY-1-METHYL-2-[1-METHYL-1-[[(PHENYLMETHOXY)CARBONYL]AMINO]ETHYL]-6-OXO-4-PYRIMIDINECARBOXYLIC ACID METHYL ESTER, AK-40690, J-504034, 1,6-dihydro-5-hydroxy-1-methyl-2-(1-methyl-1-(((phenylmethoxy)carbonyl)amino)ethyl)-6-oxo-4-pyrimidinecarboxylic acid methyl ester, 1,6-DIHYDRO-5-HYDROXY-1-METHYL-2-[1-METHYL-1-[[BENZYLCARBAMOYL]AMINO]ETHYL]-6-OXO-4-PYRIMIDINECARBOXYLIC ACID METHYL ESTER, 4-Pyrimidinecarboxylic acid, 1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-, methyl ester, methyl 2-(2-{[(benzyloxy)carbonyl]amino}propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate, methyl 5-hydroxy-1-methyl-6-oxo-2-[2-(phenylmethoxycarbonylamino)propan-2-yl]pyrimidine-4-carboxylate, raltegravir intermediate 2, intermediate c of raltegravir, SCHEMBL8266635, DTXSID40715848, BCP13466, KS-00000I4J, ANW-54216, MFCD10698809, ZINC21300715, AKOS015899187, AN-3510, CS-W005294, DS-1946, RL05585, AC-25867, AJ-78343, methyl 2-(2-(benzyloxycarbonylamino)propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate, SC-52708, AB1008489, AX8163969, RT-005897, ST2407103, TC-142961, TL8005753, 4CH-018332, FT-0666998, X4800, yl-6-oxo-1,6-dihydropyrimidine-4-carboxylate, 504P276, I14-12024, 4-PYRIMIDINECARBOXYLIC ACID, 1,6-DIHYDRO-5-HYDROXY, 1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[benzylcarbamoyl]a, methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-1-meth, Methyl 2-(1-Cbz-NH-i-Pr)-5-OH-1-Me-6-oxo-1,6-dihydropyrimidine-4-carboxylate, 4-Pyrimidinecarboxylic acid, 1,6-dihydro-5-hydroxy-1-methyl-2-[1-methyl-1-[[(phenylmethoxy)carbonyl]amino]ethyl]-6-oxo-, methyl este, benzyl N-[1-[(4E)-4-[hydroxy(methoxy)methylene]-1-methyl-5,6-dioxo-pyrimidin-2-yl]-1-methyl-ethyl]carbamate, Methyl 2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-, null, SNDXNBICJATRDW-UHFFFAOYSA-N, C18H21N3O6, ACN-046778, 2-(1-Benzyloxycarbonylamino-1-methyl-ethyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydro-pyrimidine-4-carboxylic acid methyl ester, Methyl2-(2-(((benzyloxy)carbonyl)amino)propan-2-yl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxylate,

Complexity	677
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	375.143g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	375.381g/mol
Monoisotopic Mass	375.143g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	118A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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

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