Cytidine triphosphate disodium dihydrate

C9H18N3Na2O16P3CAS 81012-87-5563.15 g/mol

Open in Covalent MOL file
H+H+NONH2NOOPOO−OPOO−OPOO−O−OHHOH2OH2ONa+Na+
AlcoholEtherPhosphatePrimary amine

Properties

Molecular formula
C9H18N3Na2O16P3
Molar mass
563.15 g/mol
Exact mass
562.9695 Da
logP
-12.16Crippen estimate
Polar surface area
344.7 Ų
H-bond donors / acceptors
3 / 16
Rotatable bonds
8
Stereocentres
R, R, S, Rin SMILES atom order

Hazards

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

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Identifiers

CAS number
81012-87-5
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+]
InChIKey
KNSYTSUGTLJHPS-ODQFIEKDSA-L
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

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Names and synonyms

1 names
  • Cytidine-5'-triphosphate disodium salt dihydrate

Work with Cytidine triphosphate disodium dihydrate

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-5'-triphosphate disodium salt123334-07-6Salt Cytidine 5'-triphosphate sodium salt93688-66-5Salt, stereo not defined

Similar compounds

Cytidine-5'-diphosphate disodium salt54394-90-075 % similar Uridine-5′-triphosphate trisodium salt19817-92-663 % similar Disodium UMP3387-36-861 % similar Trisodium cytidine 5′-diphosphate34393-59-461 % similar Uridine-5′-diphosphate disodium salt27821-45-060 % similar 2'-Deoxycytidine-5'-triphosphate trisodium salt109909-44-657 % similar Disodium uridine diphosphoglucose28053-08-957 % similar Diquafosol tetrasodium211427-08-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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