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100997-64-6 | Cytidine, N-methyl-N-(methylamino)- (9CI)
CAS No: 100997-64-6 Catalog No: AG0003EP MDL No:
Product Description
Catalog Number:
AG0003EP
Chemical Name:
Cytidine, N-methyl-N-(methylamino)- (9CI)
CAS Number:
100997-64-6
Molecular Formula:
C11H18N4O5
Molecular Weight:
286.2844
IUPAC Name:
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[methyl(methylamino)amino]pyrimidin-2-one
InChI:
InChI=1S/C11H18N4O5/c1-12-14(2)7-3-4-15(11(19)13-7)10-9(18)8(17)6(5-16)20-10/h3-4,6,8-10,12,16-18H,5H2,1-2H3/t6-,8-,9-,10-/m1/s1
InChI Key:
XGMPVNMKXZVBHR-PEBGCTIMSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N(NC)C
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
286.128g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
286.288g/mol
Monoisotopic Mass:
286.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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