chempirical

2'-Deoxycytidine-5'-triphosphate trisodium salt

C9H13N3Na3O13P3CAS 109909-44-6533.10 g/mol

Open in Covalent MOL file
ONNONH2OPOO−OPOO−OPOOHO−HONa+Na+Na+
AlcoholEtherPhosphatePrimary amine

Properties

Molecular formula
C9H13N3Na3O13P3
Molar mass
533.10 g/mol
Exact mass
532.9354 Da
logP
-12.07Crippen estimate
Polar surface area
258.7 Ų
H-bond donors / acceptors
3 / 14
Rotatable bonds
8
Stereocentres
S, R, Rin SMILES atom order

Identifiers

CAS number
109909-44-6
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+].[Na+]
InChIKey
WBIPTAOOMJEGQO-MILVPLDLSA-K
InChI
InChI=1S/C9H16N3O13P3.3Na/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17;;;/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17);;;/q;3*+1/p-3/t5-,6+,8+;;;/m0.../s1

Weigh it out

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

Work with 2'-Deoxycytidine-5'-triphosphate trisodium 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

Similar compounds

Thymidine 5′-(tetrahydrogen triphosphate), sodium salt (1:3)27821-54-170 % similar Cytidine-5'-triphosphate disodium salt123334-07-664 % similar 2'-Deoxyuridine-5'-diphosphate sodium salt102814-06-264 % similar Adenosine 5′-(trihydrogen diphosphate), 2′-deoxy-, sodium salt (1:2)72003-83-960 % similar Uridine-5′-triphosphate trisodium salt19817-92-658 % similar Sodium 2′-deoxyguanosine 5′-(tetrahydrogen triphosphate) (3:1)93919-41-657 % similar TTP tetrasodium salt3624-46-256 % similar Deoxyuridine 5′-monophosphate disodium salt42155-08-856 % similar

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

Elsewhere

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