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2'-Deoxy-N3-methylcytidine

CAT: 0931-TNU1191-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU1191-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5040-21-1
Target
Others, Nucleoside Antimetabolite/Analog
Related Pathways
DNA Damage/DNA Repair, Cell Cycle/Checkpoint, Others
Bioactivity
2'-Deoxy-N3-methylcytidine is a Nucleoside Derivative - N-Methylated nucleoside.
Smiles
O=C1N([C@@H]2O[C@H](CO)[C@@H](O)C2)C=CC(=N)N1C
Molecular Formula
C10H15N3O4
Molecular Weight
241.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2'-Deoxy-3-methyl-3,4-dihydrocytidine
CAS Number5040-21-1
PubChem CID20847520
IUPAC Name4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-4H-pyrimidin-2-one
Molecular FormulaC10H17N3O4
Molecular Weight243.26
XLogP-1.6
Topological Polar Surface Area99.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity336
SMILES
CN1C(C=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)N
InChI
InChI=1S/C10H17N3O4/c1-12-8(11)2-3-13(10(12)16)9-4-6(15)7(5-14)17-9/h2-3,6-9,14-15H,4-5,11H2,1H3/t6-,7+,8?,9+/m0/s1
InChIKey
LVMJWUXGGRMAIW-QRDCSKFFSA-N
Chemical Structure
2D Structure
2D structure of 2'-Deoxy-3-methyl-3,4-dihydrocytidine
CAS: 5040-21-1
CID: 20847520
Formula: C10H17N3O4
MW: 243.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight243.26
XLogP3-1.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass243.12190603
Monoisotopic Mass243.12190603
Topological Polar Surface Area99.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity336
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
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296252-01N3-Methylcytidine
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