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CTP disodium dihydrate

CAT: 0013-GTR19167309Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19167309Size:500 mg
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Description
CTP disodium dihydrate
CAS Number
81012-87-5
Product Name Alternative
CTP disodium dihydrate, CTP disodium Dihydrate, CTP, P2XReceptor, P2X4, P2X Receptor
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Purity
98.51% (May vary between batches)
Solubility
H2O:10 mM; DMSO:Insoluble
Smiles
Nc1ccn (C2OC (COP (=O) (O) OP (=O) ([O-]) OP (=O) ([O-]) O) C (O) C2O) c (=O) n1.O.O.[Na+].[Na+]
Molecular Formula
C9H18N3Na2O16P3
Molecular Weight
563.15
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cytidine triphosphate disodium dihydrate
CAS Number81012-87-5
PubChem CID86278254
IUPAC Namedisodium;[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate;hydron;dihydrate
Molecular FormulaC9H18N3Na2O16P3
Molecular Weight563.15
Topological Polar Surface Area282
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity826
SMILES
[H+].[H+].C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O.O.O.[Na+].[Na+]
InChI
InChI=1S/C9H16N3O14P3.2Na.2H2O/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18;;;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18);;;2*1H2/q;2*+1;;/p-2/t4-,6-,7-,8-;;;;/m1..../s1
InChIKey
KNSYTSUGTLJHPS-ODQFIEKDSA-L
Chemical Structure
2D Structure
2D structure of Cytidine triphosphate disodium dihydrate
CAS: 81012-87-5
CID: 86278254
Formula: C9H18N3Na2O16P3
MW: 563.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight563.15
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Exact Mass562.96953105
Monoisotopic Mass562.96953105
Topological Polar Surface Area282 Ų
Heavy Atom Count33
Formal Charge0
Complexity826
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count7
Compound Is CanonicalizedYes