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2’-Deoxy-N4-methylcytidine

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Description
2’-Deoxy-N4-methylcytidine (N (3) -Methyl-2'-deoxycytidine) is a purine nucleoside analog with potential antitumor activity for the study of apoptosis.
CAS Number
22882-02-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
241.24
Molecular Formula
C10H15N3O4
Notes
Research use only, not for human use.
Receptor
Nucleoside Antimetabolite/Analog

Chemical Information

N(3)-Methyl-2'-deoxycytidine

structure given in first source

CAS Number22882-02-6
PubChem CID3081452
IUPAC Name1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one
Molecular FormulaC10H15N3O4
Molecular Weight241.24
XLogP-1.4
Topological Polar Surface Area94.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity369
SMILES
CNC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C10H15N3O4/c1-11-8-2-3-13(10(16)12-8)9-4-6(15)7(5-14)17-9/h2-3,6-7,9,14-15H,4-5H2,1H3,(H,11,12,16)/t6-,7+,9+/m0/s1
InChIKey
DNYQNXJGNKQOQK-LKEWCRSYSA-N
Chemical Structure
2D Structure
2D structure of N(3)-Methyl-2'-deoxycytidine
CAS: 22882-02-6
CID: 3081452
Formula: C10H15N3O4
MW: 241.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight241.24
XLogP3-1.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass241.10625597
Monoisotopic Mass241.10625597
Topological Polar Surface Area94.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity369
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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