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141043-80-3 | Cytidine, N-[[bis(1-methylethyl)amino]methylene]-2',3'-dideoxy- (9CI)
CAS No: 141043-80-3 Catalog No: AG001FSG MDL No:
Product Description
Catalog Number:
AG001FSG
Chemical Name:
Cytidine, N-[[bis(1-methylethyl)amino]methylene]-2',3'-dideoxy- (9CI)
CAS Number:
141043-80-3
Molecular Formula:
C16H26N4O3
Molecular Weight:
322.4026
IUPAC Name:
N'-[1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-di(propan-2-yl)methanimidamide
InChI:
InChI=1S/C16H26N4O3/c1-11(2)20(12(3)4)10-17-14-7-8-19(16(22)18-14)15-6-5-13(9-21)23-15/h7-8,10-13,15,21H,5-6,9H2,1-4H3/t13-,15+/m0/s1
InChI Key:
VILGAGMUNYUTFS-DZGCQCFKSA-N
SMILES:
OC[C@@H]1CC[C@@H](O1)n1ccc(nc1=O)N=CN(C(C)C)C(C)C
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
322.2g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.409g/mol
Monoisotopic Mass:
322.2g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Highly water-soluble lipophilic prodrugs of the anti-HIV nucleoside analogue 2',3'-dideoxycytidine and its 3'-fluoro derivative. | Journal of medicinal chemistry 19920529 |
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