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N4-Acetyl-2'-deoxycytidine

CAT: 0931-TNU1463-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU1463-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
32909-05-0
Target
Nucleoside Antimetabolite/Analog, Others
Related Pathways
DNA Damage/DNA Repair, Cell Cycle/Checkpoint, Others
Bioactivity
Nucleoside Derivatives –Other modified nucleosides
Smiles
CC(=O)Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1
Molecular Formula
C11H15N3O5
Molecular Weight
269.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N4-Acetyl-2'-deoxycytidine

N(4)-acetyl-2'-deoxycytidine is 2'-deoxyytidine in which one of the exocyclic amino hydrogens is substituted by an acetyl group. It is a secondary carboxamide and a pyrimidine 2'-deoxyribonucleoside.

CAS Number32909-05-0
PubChem CID11346228
IUPAC NameN-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
Molecular FormulaC11H15N3O5
Molecular Weight269.25
XLogP-1
Topological Polar Surface Area111
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity448
SMILES
CC(=O)NC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C11H15N3O5/c1-6(16)12-9-2-3-14(11(18)13-9)10-4-7(17)8(5-15)19-10/h2-3,7-8,10,15,17H,4-5H2,1H3,(H,12,13,16,18)/t7-,8+,10+/m0/s1
InChIKey
RWYFZABPLDFELM-QXFUBDJGSA-N
Chemical Structure
2D Structure
2D structure of N4-Acetyl-2'-deoxycytidine
CAS: 32909-05-0
CID: 11346228
Formula: C11H15N3O5
MW: 269.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight269.25
XLogP3-1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass269.10117059
Monoisotopic Mass269.10117059
Topological Polar Surface Area111 Ų
Heavy Atom Count19
Formal Charge0
Complexity448
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