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13048-95-8 | Cytidine, N-methyl-2'-O-methyl-
CAS No: 13048-95-8 Catalog No: AG000UHY MDL No:
Product Description
Catalog Number:
AG000UHY
Chemical Name:
Cytidine, N-methyl-2'-O-methyl-
CAS Number:
13048-95-8
Molecular Formula:
C11H17N3O5
Molecular Weight:
271.2698
IUPAC Name:
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-4-(methylamino)pyrimidin-2-one
InChI:
InChI=1S/C11H17N3O5/c1-12-7-3-4-14(11(17)13-7)10-9(18-2)8(16)6(5-15)19-10/h3-4,6,8-10,15-16H,5H2,1-2H3,(H,12,13,17)/t6-,8-,9-,10-/m1/s1
InChI Key:
BNXGRQLXOMSOMV-PEBGCTIMSA-N
SMILES:
CO[C@@H]1[C@H](O)[C@H](O[C@H]1n1ccc(nc1=O)NC)CO
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
271.117g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
271.273g/mol
Monoisotopic Mass:
271.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Literature
| Title | Journal |
|---|---|
| Synthesis and solution conformation studies of the modified nucleoside N(4),2'-O-dimethylcytidine (m(4)Cm) and its analogues. | Bioorganic & medicinal chemistry 20081001 |
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