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Home > Nitro Compounds > 23568-00-5
23568-00-5 | 5'-Uridylic acid, 5-nitro- (9CI)
CAS No: 23568-00-5 Catalog No: AG002NOP MDL No:
Product Description
Catalog Number:
AG002NOP
Chemical Name:
5'-Uridylic acid, 5-nitro- (9CI)
CAS Number:
23568-00-5
Molecular Formula:
C9H12N3O11P
Molecular Weight:
369.1788
IUPAC Name:
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-nitro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
InChI:
InChI=1S/C9H12N3O11P/c13-5-4(2-22-24(19,20)21)23-8(6(5)14)11-1-3(12(17)18)7(15)10-9(11)16/h1,4-6,8,13-14H,2H2,(H,10,15,16)(H2,19,20,21)/t4-,5-,6-,8-/m1/s1
InChI Key:
HXXCOPAUDCGLQO-UAKXSSHOSA-N
SMILES:
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cc([N+](=O)[O-])c(=O)[nH]c1=O)COP(=O)(O)O
Properties
Complexity:
639
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
369.021g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
369.179g/mol
Monoisotopic Mass:
369.021g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
212A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.9
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