200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 25024-53-7
25024-53-7 | Boc-His(Dnp)-OH
CAS No: 25024-53-7 Catalog No: AG003OH2 MDL No:MFCD00076943
Product Description
Catalog Number:
AG003OH2
Chemical Name:
Boc-His(Dnp)-OH
CAS Number:
25024-53-7
Molecular Formula:
C17H19N5O8
Molecular Weight:
421.3615
MDL Number:
MFCD00076943
IUPAC Name:
(2S)-3-[1-(2,4-dinitrophenyl)imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C17H19N5O8/c1-17(2,3)30-16(25)19-12(15(23)24)6-10-8-20(9-18-10)13-5-4-11(21(26)27)7-14(13)22(28)29/h4-5,7-9,12H,6H2,1-3H3,(H,19,25)(H,23,24)/t12-/m0/s1
InChI Key:
KPGVUOQMOHGHEW-LBPRGKRZSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ncn(c1)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
EC Number:
246-569-0
Properties
Complexity:
671
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
421.123g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
421.366g/mol
Monoisotopic Mass:
421.123g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
185A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.