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Technology Process of 4-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-(2-naphthylmethyl)-4-oxo-butanoic acid

4-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-(2-naphthylmethyl)-4-oxo-butanoic acid

Base Information
  • Chemical Name:4-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-(2-naphthylmethyl)-4-oxo-butanoic acid
  • CAS No.:830357-87-4
  • Molecular Formula:C36H48 N7 O19 P3 S
  • Molecular Weight:1007.7881
  • Hs Code.:
  • DSSTox Substance ID:DTXSID50474873
  • Nikkaji Number:J2.101.188F
  • Metabolomics Workbench ID:70928
4-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-(2-naphthylmethyl)-4-oxo-butanoic acid

Synonyms:C14116;Naphthyl-2-methyl-succinyl-CoA;830357-87-4;DTXSID50474873;S-[2-(2-Naphthylmethyl)-4-hydroxy-4-oxobutyryl]coenzyme A;4-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-(2-naphthylmethyl)-4-oxo-butanoic acid

Suppliers and Price of 4-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-(2-naphthylmethyl)-4-oxo-butanoic acid
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Chemical Property of 4-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-(2-naphthylmethyl)-4-oxo-butanoic acid
Chemical Property:
  • Boiling Point:°Cat760mmHg 
  • PKA:1.16±0.50(Predicted) 
  • Flash Point:°C 
  • PSA：462.64000 
  • Density:1.76g/cm3 
  • LogP:3.41330 
  • XLogP3:-3
  • Hydrogen Bond Donor Count:10
  • Hydrogen Bond Acceptor Count:24
  • Rotatable Bond Count:25
  • Exact Mass:1007.19385449
  • Heavy Atom Count:66
  • Complexity:1840
Purity/Quality:
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C(CC4=CC5=CC=CC=C5C=C4)CC(=O)O)O
  • Isomeric SMILES:CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(CC4=CC5=CC=CC=C5C=C4)CC(=O)O)O
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