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117309-85-0 | 5'-Cytidylic acid, 5-hexyl-, diammonium salt (9CI)
CAS No: 117309-85-0 Catalog No: AG000E4L MDL No:
Product Description
Catalog Number:
AG000E4L
Chemical Name:
5'-Cytidylic acid, 5-hexyl-, diammonium salt (9CI)
CAS Number:
117309-85-0
Molecular Formula:
C15H32N5O8P
Molecular Weight:
441.4170
IUPAC Name:
[(2R,3S,4R,5R)-5-(4-amino-5-hexyl-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
InChI:
InChI=1S/C15H26N3O8P/c1-2-3-4-5-6-9-7-18(15(21)17-13(9)16)14-12(20)11(19)10(26-14)8-25-27(22,23)24/h7,10-12,14,19-20H,2-6,8H2,1H3,(H2,16,17,21)(H2,22,23,24)/t10-,11-,12-,14-/m1/s1
InChI Key:
MHNVEDPJGPYYMC-HKUMRIAESA-N
SMILES:
CCCCCCc1cn(c(=O)nc1N)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)([O-])[O-].[NH4+].[NH4+]
Properties
Complexity:
649
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
407.146g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
407.36g/mol
Monoisotopic Mass:
407.146g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
Literature
| Title | Journal |
|---|---|
| Synthesis and cytostatic and antiviral activities of 1-beta-D-ribofuranosyl-5-alkylcytosine (5-alkylcytidine) cyclic 3',5'-monophosphates. | Journal of medicinal chemistry 19890101 |
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