chempirical

Adenosine deaminase

C83H165NO8P+CAS 9026-93-11336.21 g/mol

Open in Covalent MOL file
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AlkeneEsterPhosphateQuaternary ammonium

Properties

Molecular formula
C83H165NO8P+
Molar mass
1336.21 g/mol
Exact mass
1335.2273 Da
logP
27.79Crippen estimate
Polar surface area
108.4 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
80

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
9026-93-1
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC=CCCCCCCCCCC
InChI
InChI=1S/C83H164NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-37-38-39-40-41-42-43-44-45-46-48-49-51-53-55-57-59-61-63-65-67-69-71-73-75-82(85)89-79-81(80-91-93(87,88)90-78-77-84(3,4)5)92-83(86)76-74-72-70-68-66-64-62-60-58-56-54-52-50-47-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h25,27,81H,6-24,26,28-80H2,1-5H3/p+1

Weigh it out

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

Names and synonyms

11 names
  • Deaminase, adenosine
  • Deoxyadenosine deaminase
  • E.C. 3.5.4.4
  • EC 3.5.4.4
  • Adenosine aminohydrolase
  • ADA
  • Adenosineaminohydrolases
  • Adenosine deaminases
  • Adenosine aminohydrolases
  • Deoxyadenosine deaminases
  • Adenosinedeaminases

Work with Adenosine deaminase

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

1,2-Dioleoyl-sn-glycerophosphoethanolamine4004-05-177 % similar 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine26853-31-675 % similar 1,2-Dioleoyl-sn-glycero-3-phosphocholine4235-95-475 % similar 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine7276-38-275 % similar 3,5,8-Trioxa-4-phosphahexacos-17-en-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-7-[[(1-oxododecyl)oxy]methyl]-, inner salt, 4-oxide, [R-(Z)]-91917-72-575 % similar 1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine95896-56-375 % similar 1,2-Distearoyl-sn-glycero-3-phosphoethanolamine1069-79-068 % similar Dipalmitoylphosphatidylethanolamine923-61-568 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook