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1843217-56-0 | N-(5-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3-nitro-6-(4-nitrophenethoxy)pyridin-2-yl)acetamide
CAS No: 1843217-56-0 Catalog No: AG00IM2K MDL No:
Product Description
Catalog Number:
AG00IM2K
Chemical Name:
N-(5-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3-nitro-6-(4-nitrophenethoxy)pyridin-2-yl)acetamide
CAS Number:
1843217-56-0
Molecular Formula:
C20H22N4O9
Molecular Weight:
462.4101
IUPAC Name:
N-[5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-nitro-6-[2-(4-nitrophenyl)ethoxy]pyridin-2-yl]acetamide
InChI:
InChI=1S/C20H22N4O9/c1-11(26)21-19-15(24(30)31)8-14(17-9-16(27)18(10-25)33-17)20(22-19)32-7-6-12-2-4-13(5-3-12)23(28)29/h2-5,8,16-18,25,27H,6-7,9-10H2,1H3,(H,21,22,26)/t16-,17+,18+/m0/s1
InChI Key:
FOHXRMZLXNXZFZ-RCCFBDPRSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)c1cc([N+](=O)[O-])c(nc1OCCc1ccc(cc1)[N+](=O)[O-])NC(=O)C
Properties
Complexity:
692
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
462.139g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
462.415g/mol
Monoisotopic Mass:
462.139g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
193A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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