Cas no 457652-83-4 (a-Me-D-Phe(3-I)-OH·H2O)

a-Me-D-Phe(3-I)-OH·H2O structure
a-Me-D-Phe(3-I)-OH·H2O structure
Product Name:a-Me-D-Phe(3-I)-OH·H2O
CAS No:457652-83-4
MF:C10H12INO2
MW:305.112255096436
CID:327933
PubChem ID:10357711
Update Time:2025-04-19

a-Me-D-Phe(3-I)-OH·H2O Chemical and Physical Properties

Names and Identifiers

    • D-Phenylalanine,3-iodo-a-methyl-
    • (2R)-2-amino-3-(3-iodophenyl)-2-methylpropanoic acid
    • (R)-Α-METHYL-3-IODOPHENYLALANINE·H2O
    • H-alpha-Me-D-Phe(3-I)-OH
    • AmbotzHAA5330
    • (R)-alpha-Methyl-3-iodophenylalanine (>98%, >98%ee)
    • (S)-Alpha-methyl-3-iodophenylalanine(>98%,>98%ee)
    • RCYLCZQGMUWCBV-SNVBAGLBSA-N
    • AKOS030213015
    • DTXSID10438693
    • 457652-83-4
    • SCHEMBL5182245
    • 3-Iodo-alpha-methyl-D-phenylalanine
    • A897908
    • H-alpha-Me-L-Phe(3-I)-OH
    • D-Phenylalanine, 3-iodo-
    • (R)-alpha-Methyl-3-Iodophenylalaine
    • A-methyl-
    • (R)-alpha-Methyl-3-Iodophenylalanine
    • a-Me-D-Phe(3-I)-OH·H2O
    • Inchi: 1S/C10H12INO2/c1-10(12,9(13)14)6-7-3-2-4-8(11)5-7/h2-5H,6,12H2,1H3,(H,13,14)/t10-/m1/s1
    • InChI Key: RCYLCZQGMUWCBV-SNVBAGLBSA-N
    • SMILES: IC1=CC=CC(=C1)C[C@@](C(=O)O)(C)N

Computed Properties

  • Exact Mass: 304.99100
  • Monoisotopic Mass: 304.99128g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 222
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.6
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • Density: 1.737
  • Boiling Point: 390.271°C at 760 mmHg
  • Flash Point: 189.829°C
  • Refractive Index: 1.637
  • PSA: 63.32000
  • LogP: 2.33600

a-Me-D-Phe(3-I)-OH·H2O Pricemore >>

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