(3S)-5-[(3-AMINO-3-CARBOXYPROPYL)METHYLSULFONIO]-5-DEOXY-ADENOSINE1,4-BUTANEDISULFONATE1,4-BUTANEDISULFONATE(2:1:2)

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Names

[ CAS No. ]:
228267-64-9

[ Name ]:
(3S)-5-[(3-AMINO-3-CARBOXYPROPYL)METHYLSULFONIO]-5-DEOXY-ADENOSINE1,4-BUTANEDISULFONATE1,4-BUTANEDISULFONATE(2:1:2)

[Synonym ]:
2-Oxazolidinone,3-[(3S)-3-methyl-1-oxopentyl]-4-(phenylmethyl)-,(4R)
(3S,4R)-4-BENZYL-3-(3-METHYLPENTANOYL)-OXAZOLIDIN-2-ONE
(4R,3'S)-3-(3'-methyl-1'-oxopentyl)-4-benzyl-2-oxazolidinone
4-Benzyl-3-(3-methyl-pentanoyl)-oxazolidin-2-one

Chemical & Physical Properties

[ Density]:
1.131g/cm3

[ Boiling Point ]:
424.9ºC at 760 mmHg

[ Molecular Formula ]:
C16H21NO3

[ Molecular Weight ]:
275.34300

[ Flash Point ]:
210.7ºC

[ Exact Mass ]:
275.15200

[ PSA ]:
46.61000

[ LogP ]:
2.95060

[ Vapour Pressure ]:
2E-07mmHg at 25°C

[ Index of Refraction ]:
1.537

Synthetic Route

Precursor & DownStream

Precursor

  • (S)-3-methylpentanoic acid chloride
  • 4-benzyloxazolidin-2-one
  • L-Isoleucine
  • (3S)-3-methylpentanoic acid
  • (3S)-3-Methyl-1-pentanol
  • (2S,3S)-2-bromo-3-methylpentanoic acid
  • S-2-Chloro-3-methylvaleric acid

DownStream

  • 2-sec-Butyl-succinic acid 4-tert-butyl ester