chempirical

Deoxyadenosine triphosphate

C10H16N5O12P3CAS 1927-31-7491.18 g/mol

Open in Covalent MOL file
H2NNNNNOHOPOOHOPOOHOPOHOOHO
AlcoholEtherPhosphatePrimary amine

Properties

Molecular formula
C10H16N5O12P3
Molar mass
491.18 g/mol
Exact mass
491.0008 Da
logP
-0.60Crippen estimate
Polar surface area
258.9 Ų
H-bond donors / acceptors
6 / 12
Rotatable bonds
8
Stereocentres
R, S, Rin SMILES atom order

Identifiers

CAS number
1927-31-7
SMILES
Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1
InChIKey
SUYVUBYJARFZHO-RRKCRQDMSA-N
InChI
InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • Adenosine 5′-(tetrahydrogen triphosphate), 2′-deoxy-
  • Adenosine, 2′-deoxy-, 5′-(tetrahydrogen triphosphate)
  • Adenosine, 2′-deoxy-, 5′-triphosphate
  • 2′-Deoxyadenosine 5′-(tetrahydrogen triphosphate)
  • 2′-Deoxyadenosine 5′-triphosphate
  • dATP
  • Deoxyadenosine 5′-triphosphate
  • Deoxy-ATP
  • 2′-Deoxy-ATP
  • 2′-Deoxyadenosine triphosphate
  • 5′-DATP
  • 2′-Deoxy-5′-ATP

Work with Deoxyadenosine triphosphate

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

Deoxyadenosine monophosphate653-63-480 % similar Adenosine triphosphate56-65-572 % similar Adenosine 5′-(tetrahydrogen triphosphate), 2′-deoxy-, disodium salt74299-50-671 % similar Adenosine diphosphate58-64-069 % similar Deoxyadenosine 5′-monophosphate disodium salt2922-74-965 % similar Adenosine 5′-(trihydrogen diphosphate), 2′-deoxy-, sodium salt (1:2)72003-83-963 % similar Deoxyadenosine958-09-859 % similar Inosine 5′-(tetrahydrogen triphosphate), 2′-deoxy-, trisodium salt95648-77-458 % similar

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

Elsewhere

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