(2S,3R,4R)-4-Hydroxy-2-(4-methoxybenzyl)-3-pyrrolidinyl acetate | CAS No. 22862-76-6

(2S,3R,4R)-4-Hydroxy-2-(4-methoxybenzyl)-3-pyrrolidinyl acetate

Basic Information

CAS Number

22862-76-6

Molecular Formula

C14H19NO4

Molecular Weight

265.31 g/mol

AD

Basic Physical Properties

Melting Point

141.0 to 145.0 deg-C

Boiling Point

408.52°C (rough estimate)

Water Solubility

Soluble in water at 2 mg/ml, in DMSO at 20mg/ml, and in methanol at 20mg/ml

Flash Point

87℃

Refractive Index

1.5230 (estimate)

Specific Rotation

D23 -30° (methanol)

CC(=O)OC1C(CNC1CC2=CC=C(C=C2)OC)O

InChI

InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m0/s1

InChIKey

YKJYKKNCCRKFSL-BFHYXJOUSA-N

LogP

0.5020999999999995

pKa

7.9(at 25℃)

Topological Polar Surface Area

67.79 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

302

Safety Information

View Safety Information

GHS Hazard Pictograms

H301H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

  • cid_253602
  • Anisomycin, Antibiotic for Culture Media Use Only
  • HMS2096C06
  • (-) Anisomycin
  • KBioSS_002014
  • ANISOMYCIN, (-)-
  • Flagecidin
  • HMS2231E05
  • (2R,3S,4S)-2-(p-Methoxybenzyl)-3,4-pyrrolidinediol 3-acetate
  • 3,4-Pyrrolidinediol, 2-[(4-methoxyphenyl)methyl]-, 3-acetate, (2R,3S,4S)-
  • Rel-(2R,3S,4S)-4-hydroxy-2-(4-methoxybenzyl)pyrrolidin-3-yl acetate
  • EINECS 245-269-7
  • Spectrum2_000632
  • CBiol_002064
  • HB2239
  • NSC76712
  • HMS3414L17
  • acetic acid [(2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]-3-pyrrolidinyl] ester
  • Anisomycin from Streptomyces griseolus
  • NINDS_000855
  • 5-21-05-00523 (Beilstein Handbook Reference)
  • Spectrum4_000748
  • (2R,3S,4S)-4-hydroxy-2-(4-methoxybenzyl)pyrrolidin-3-ylacetate
  • KBio2_004582
  • 6C74YM2NGI
  • [(2R,3S,4S)-2-[(4-methoxyphenyl)methyl]-4-oxidanyl-pyrrolidin-3-yl] ethanoate
  • 3,4-Pyrrolidinediol, 2-((4-methoxyphenyl)methyl)-, 3-acetate, (2R-(2alpha,3alpha,4beta))-
  • AKOS015916532
  • Prestwick3_000412
  • AI3-50846
  • KBio1_000855

MDL Number

MFCD00077650

Customs Code

2933990090

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