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141018-14-6 | Cytidine, 2',3'-dideoxy-N-[(diethylamino)methylene]- (9CI)
CAS No: 141018-14-6 Catalog No: AG001FR5 MDL No:
Product Description
Catalog Number:
AG001FR5
Chemical Name:
Cytidine, 2',3'-dideoxy-N-[(diethylamino)methylene]- (9CI)
CAS Number:
141018-14-6
Molecular Formula:
C14H22N4O3
Molecular Weight:
294.3495
IUPAC Name:
N,N-diethyl-N'-[1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]methanimidamide
InChI:
InChI=1S/C14H22N4O3/c1-3-17(4-2)10-15-12-7-8-18(14(20)16-12)13-6-5-11(9-19)21-13/h7-8,10-11,13,19H,3-6,9H2,1-2H3/t11-,13+/m0/s1
InChI Key:
LMWUUKHUARLMMQ-WCQYABFASA-N
SMILES:
OC[C@@H]1CC[C@@H](O1)n1ccc(nc1=O)N=CN(CC)CC
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
294.169g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.355g/mol
Monoisotopic Mass:
294.169g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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