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5-Aza-2''-deoxycytidine

CAT: 0862-GP1241-100mgSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0862-GP1241-100mgSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2353-33-5
EC Number
219-089-4
MDL Number
MFCD00043011
HS Code
29349990
Purity
98.00%
Molecular Formula
C8H12N4O4
Molecular Weight
228.21
Storage Conditions
+4°C
Hazardous Class
Not hazardous

Chemical Information

5-Aza-2'-deoxycytidine

5-aza-2'-deoxycytidine is a 2'-deoxyribonucleoside.

CAS Number2353-33-5
PubChem CID451668
IUPAC Name4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
Molecular FormulaC8H12N4O4
Molecular Weight228.21
XLogP-1.2
Topological Polar Surface Area121
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity356
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC(=NC2=O)N)CO)O
InChI
InChI=1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1
InChIKey
XAUDJQYHKZQPEU-KVQBGUIXSA-N
Chemical Structure
2D Structure
2D structure of 5-Aza-2'-deoxycytidine
CAS: 2353-33-5
CID: 451668
Formula: C8H12N4O4
MW: 228.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.21
XLogP3-1.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass228.08585488
Monoisotopic Mass228.08585488
Topological Polar Surface Area121 Ų
Heavy Atom Count16
Formal Charge0
Complexity356
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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