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Methyl 2-(2-(benzyloxycarbonylamino)propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylate

CAS No.:
519032-08-7
Catalog Number:
AG0032NG
Molecular Formula:
C17H19N3O6
Molecular Weight:
361.3493
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$93
- +
5g
95%
In Stock USA
United States
$288
- +
10g
97%
In Stock USA
United States
$450
- +
25g
95%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG0032NG
Chemical Name:
Methyl 2-(2-(benzyloxycarbonylamino)propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylate
CAS Number:
519032-08-7
Molecular Formula:
C17H19N3O6
Molecular Weight:
361.3493
MDL Number:
MFCD10698742
IUPAC Name:
methyl 5-hydroxy-6-oxo-2-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1H-pyrimidine-4-carboxylate
InChI:
InChI=1S/C17H19N3O6/c1-17(2,20-16(24)26-9-10-7-5-4-6-8-10)15-18-11(14(23)25-3)12(21)13(22)19-15/h4-8,21H,9H2,1-3H3,(H,20,24)(H,18,19,22)
InChI Key:
NIVUTAZNLHLBAN-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc([nH]c(=O)c1O)C(NC(=O)OCc1ccccc1)(C)C
EC Number:
917-658-8
Properties
Complexity:
647  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.127g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
361.354g/mol
Monoisotopic Mass:
361.127g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Methyl 2-[2-(benzyl-oxycarbonyl-amino)-propan-2-yl]-5-hy-droxy-6-meth-oxy-pyrimidine-4-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20110201
Properties