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179817-96-0 | Cytidine, 2'-O-methyl-5-(1-propynyl)- (9CI)
CAS No: 179817-96-0 Catalog No: AG0027A9 MDL No:
Product Description
Catalog Number:
AG0027A9
Chemical Name:
Cytidine, 2'-O-methyl-5-(1-propynyl)- (9CI)
CAS Number:
179817-96-0
Molecular Formula:
C13H17N3O5
Molecular Weight:
295.2912
IUPAC Name:
4-amino-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-prop-1-ynylpyrimidin-2-one
InChI:
InChI=1S/C13H17N3O5/c1-3-4-7-5-16(13(19)15-11(7)14)12-10(20-2)9(18)8(6-17)21-12/h5,8-10,12,17-18H,6H2,1-2H3,(H2,14,15,19)/t8-,9-,10-,12-/m1/s1
InChI Key:
RDNYOZGTGXUIIY-DNRKLUKYSA-N
SMILES:
CO[C@@H]1[C@H](O)[C@H](O[C@H]1n1cc(C#CC)c(nc1=O)N)CO
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
295.117g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
295.295g/mol
Monoisotopic Mass:
295.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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