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CTP 2Na

CAT: 0926-NC03860-02Size: 50 gDry Ice: NoHazardous: No
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CAT#:0926-NC03860-02Size:50 g
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CAS Number
36051-68-0
Synonyms
5'-CTP·2Na; D-Cytidine 5'-triphosphate disodium salt hydrate; CTP
MDL Number
MFCD00078193
Smiles
[Na+].[Na+].NC1=NC (=O) N (C=C1) [C@@H]2O[C@H] (COP (O) (=O) OP ([O-]) (=O) OP (O) ([O-]) =O) [C@@H] (O) [C@H]2O
Molecular Formula
C9H14N3Na2O14P3
Molecular Weight
527.12 g/mol
Shipping Conditions
Cool Pack
Controlled
No

Chemical Information

Cytidine triphosphate disodium

See also: 5'-Ctp (annotation moved to); Cytidine triphosphate disodium dihydrate (annotation moved to).

CAS Number36051-68-0
PubChem CID16219171
IUPAC Namedisodium;[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
Molecular FormulaC9H14N3Na2O14P3
Molecular Weight527.12
Topological Polar Surface Area274
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity844
SMILES
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.[Na+].[Na+]
InChI
InChI=1S/C9H16N3O14P3.2Na/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);;/q;2*+1/p-2/t4-,6-,7-,8-;;/m1../s1
InChIKey
NFQMDTRPCFJJND-WFIJOQBCSA-L
Chemical Structure
2D Structure
2D structure of Cytidine triphosphate disodium
CAS: 36051-68-0
CID: 16219171
Formula: C9H14N3Na2O14P3
MW: 527.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.12
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass526.94840169
Monoisotopic Mass526.94840169
Topological Polar Surface Area274 Ų
Heavy Atom Count31
Formal Charge0
Complexity844
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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