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5-Chlorocytidine

CAT: 0572-TRC-C365155-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C365155-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
25130-29-4
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
NC1=NC(=O)N(C=C1Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
Molecular Formula
C9 H12 Cl N3 O5
Molecular Weight
277.66
InChI
InChI=1S/C9H12ClN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1
Additionnal Information
IUPAC name: 4-amino-5-chloro-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

5-Chlorocytidine
CAS Number25130-29-4
PubChem CID14308791
IUPAC Name4-amino-5-chloro-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Molecular FormulaC9H12ClN3O5
Molecular Weight277.66
XLogP-1.5
Topological Polar Surface Area129
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity426
SMILES
C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)Cl
InChI
InChI=1S/C9H12ClN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1
InChIKey
LOFVQBRIYOQFDZ-UAKXSSHOSA-N
Chemical Structure
2D Structure
2D structure of 5-Chlorocytidine
CAS: 25130-29-4
CID: 14308791
Formula: C9H12ClN3O5
MW: 277.66
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight277.66
XLogP3-1.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass277.0465482
Monoisotopic Mass277.0465482
Topological Polar Surface Area129 Ų
Heavy Atom Count18
Formal Charge0
Complexity426
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