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N-Acetylcytidine

CAT: 0127-OR303359-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
3768-18-1
Synonyms
N-Ethanoylcytidine, N-Acetyl-1- (beta-D-ribofuranosyl) cytosine, N-[1,2-Dihydro-2-oxo-1- (beta-D-ribofuranosyl) pyrimidin-4-yl]acetamide, N-{1,2-Dihydro-1-[ (2R,3R,4S,5R) -3,4-dihydroxy-5- (hydroxymethyl) tetrahydrofuran-2-yl]-2-oxopyrimidin-4-yl}acetamide
MDL Number
MFCD00006540
Purity
98%
Smiles
CC(=O)NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
Storage Conditions
Store at -20°C

Chemical Information

N4-Acetylcytidine

N(4)-acetylcytidine is cytidine in which one of the exocyclic amino hydrogens is substituted by an acetyl group. It has a role as a metabolite. It is a secondary carboxamide, a member of acetamides and a member of cytidines.

CAS Number3768-18-1
PubChem CID107461
IUPAC NameN-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
Molecular FormulaC11H15N3O6
Molecular Weight285.25
XLogP-1.4
Topological Polar Surface Area132
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity477
SMILES
CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C11H15N3O6/c1-5(16)12-7-2-3-14(11(19)13-7)10-9(18)8(17)6(4-15)20-10/h2-3,6,8-10,15,17-18H,4H2,1H3,(H,12,13,16,19)/t6-,8-,9-,10-/m1/s1
InChIKey
NIDVTARKFBZMOT-PEBGCTIMSA-N
Chemical Structure
2D Structure
2D structure of N4-Acetylcytidine
CAS: 3768-18-1
CID: 107461
Formula: C11H15N3O6
MW: 285.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.25
XLogP3-1.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass285.09608521
Monoisotopic Mass285.09608521
Topological Polar Surface Area132 Ų
Heavy Atom Count20
Formal Charge0
Complexity477
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
112006N4-Acetylcytidine
HY-W753593N4-Acetylcytidine-13C5
T19463-01N4-Acetylcytidine triphosphate
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