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138848-11-0 | Cytidine, 2'-deoxy-N-(4-morpholinylmethylene)- (9CI)
CAS No: 138848-11-0 Catalog No: AG0019P5 MDL No:
Product Description
Catalog Number:
AG0019P5
Chemical Name:
Cytidine, 2'-deoxy-N-(4-morpholinylmethylene)- (9CI)
CAS Number:
138848-11-0
Molecular Formula:
C14H20N4O5
Molecular Weight:
324.3324
IUPAC Name:
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(morpholin-4-ylmethylideneamino)pyrimidin-2-one
InChI:
InChI=1S/C14H20N4O5/c19-8-11-10(20)7-13(23-11)18-2-1-12(16-14(18)21)15-9-17-3-5-22-6-4-17/h1-2,9-11,13,19-20H,3-8H2/t10-,11+,13+/m0/s1
InChI Key:
CVVRDEFKVSRHHQ-DMDPSCGWSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(nc1=O)N=CN1CCOCC1
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
324.143g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.337g/mol
Monoisotopic Mass:
324.143g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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