4-[(2E)-2-Buten-1-yl]-2,4,5-trideoxy-2-(methylamino)-L-xylonic acid | CAS No. 59865-23-5

4-[(2E)-2-Buten-1-yl]-2,4,5-trideoxy-2-(methylamino)-L-xylonic acid

Basic Information

CAS Number

59865-23-5

Molecular Formula

C10H19NO3

Molecular Weight

201.27 g/mol

AD

Basic Physical Properties

Melting Point

240-241° (Wenger); mp 242-243° (Evans, Weber)

Specific Rotation

D20 +13.5° (c = 0.50 in water, pH 7); D +17° (c = 0.51 in 0.4N aq HCl)

CC=CCC(C)C(C(C(=O)O)NC)O

InChI

InChI=1S/C10H19NO3/c1-4-5-6-7(2)9(12)8(11-3)10(13)14/h4-5,7-9,11-12H,6H2,1-3H3,(H,13,14)/b5-4+/t7-,8+,9-/m1/s1

InChIKey

AHQFCPOIMVMDEZ-UNISNWAASA-N

LogP

0.6221999999999999

Topological Polar Surface Area

69.56 Ų

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

204

Synonyms & References

English

  • AHQFCPOIMVMDEZ-UNISNWAASA-N
  • Q27285320
  • (4r)-4-[(e)-2-butenyl]-4,n-dimethyl-l-threonine
  • (2s,3r,4r,6e)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoic acid
  • (2S,3R,4R,6E)-3-HYDROXY-4-METHYL-2-(METHYLAMINO)OCT-6-ENOIC ACID
  • O4J8MGO8UB
  • CHEMBL1231401
  • UNII-O4J8MGO8UB
  • (2S,3R,4R,E)-3-Hydroxy-4-methyl-2-(methylamino)oct-6-enoicacid
  • 4-METHYL-4-[(E)-2-BUTENYL]-4,N-METHYL-THREONINE
  • 4-(2E)-2-Buten-1-yl-2,4,5-trideoxy-2-(methylamino)-L-xylonic acid
  • L-Xylonic acid, 4-(2E)-2-buten-1-yl-2,4,5-trideoxy-2-(methylamino)-
  • (2S,3R,4R,E)-3-Hydroxy-4-methyl-2-(methylamino)oct-6-enoic acid
  • SCHEMBL2350789
  • 59865-23-5
  • (E,2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)oct-6-enoic acid
  • SCHEMBL874520
  • Mebmt [MI]
  • Mebmt
  • 4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-2-(methylamino)-L-xylonic acid
  • 6-Octenoic acid, 3-hydroxy-4-methyl-2-(methylamino)-, (2S,3R,4R,6E)-
  • (2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)oct-6-enoic acid
  • (4R)-4-[(E)-2-Butenyl]-4,N-dimethyl-L-threonine
  • MeBmt
  • (2S,3R,4R,E)-3-hydroxy-4-methyl-2-(methylamino)oct-6-enoic acid

MDL Number

MFCD30063727

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