Home Other Building Blocks Glupa-Carboxylate Monoammonium

Glupa-Carboxylate Monoammonium

CAS No.:
63699-78-5
Catalog Number:
AG00EBF1
Molecular Formula:
C12H13N3O7
Molecular Weight:
311.2475
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
99%
1 week
United States
$257
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Product Description
Catalog Number:
AG00EBF1
Chemical Name:
Glupa-Carboxylate Monoammonium
CAS Number:
63699-78-5
Molecular Formula:
C12H13N3O7
Molecular Weight:
311.2475
MDL Number:
MFCD00058243
IUPAC Name:
azanium;5-[[(4S)-4-amino-4-carboxybutanoyl]amino]-2-nitrobenzoate
InChI:
InChI=1S/C12H13N3O7.H3N/c13-8(12(19)20)2-4-10(16)14-6-1-3-9(15(21)22)7(5-6)11(17)18;/h1,3,5,8H,2,4,13H2,(H,14,16)(H,17,18)(H,19,20);1H3/t8-;/m0./s1
InChI Key:
GFABNNMTRVBLPZ-QRPNPIFTSA-N
SMILES:
O=C(Nc1ccc(c(c1)C(=O)O)[N+](=O)[O-])CC[C@@H](C(=O)O)N C12H13N3O7
EC Number:
264-418-7
Properties
Complexity:
457  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
328.102g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
328.281g/mol
Monoisotopic Mass:
328.102g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
179A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties