chempirical

Cytidine 5'-triphosphate sodium salt

C9H12N3Na4O14P3CAS 93688-66-5571.08 g/mol

Open in Covalent MOL file
NONH2NOOPOO−OPOO−OPOO−O−OHHONa+Na+Na+Na+
AlcoholEtherPhosphatePrimary amine

Properties

Molecular formula
C9H12N3Na4O14P3
Molar mass
571.08 g/mol
Exact mass
570.9123 Da
logP
-16.72Crippen estimate
Polar surface area
281.7 Ų
H-bond donors / acceptors
3 / 16
Rotatable bonds
8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
93688-66-5
SMILES
C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O.[Na+].[Na+].[Na+].[Na+]
InChIKey
ADFZKEPUVVAOFV-UHFFFAOYSA-J
InChI
InChI=1S/C9H16N3O14P3.4Na/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;4*+1/p-4

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Cytidine 5'-triphosphate sodium salt

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Cytidine triphosphate disodium dihydrate81012-87-5Salt, defined stereoisomer Cytidine-5'-triphosphate disodium salt123334-07-6Salt, defined stereoisomer

Similar compounds

Cytidine-5'-diphosphate disodium salt54394-90-079 % similar Uridine-5′-triphosphate trisodium salt19817-92-665 % similar Disodium UMP3387-36-864 % similar Trisodium cytidine 5′-diphosphate34393-59-463 % similar Uridine-5′-diphosphate disodium salt27821-45-063 % similar 2'-Deoxycytidine-5'-triphosphate trisodium salt109909-44-659 % similar Disodium uridine diphosphoglucose28053-08-959 % similar Diquafosol tetrasodium211427-08-659 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook