Cas no 69199-37-7 (1-Azetidinebutanoicacid, 2-carboxy-a-[[(3S)-3-carboxy-3-hydroxypropyl]amino]-b-hydroxy-, (aS,bS,2S)-)

1-Azetidinebutanoicacid, 2-carboxy-a-[[(3S)-3-carboxy-3-hydroxypropyl]amino]-b-hydroxy-, (aS,bS,2S)- structure
69199-37-7 structure
Product Name:1-Azetidinebutanoicacid, 2-carboxy-a-[[(3S)-3-carboxy-3-hydroxypropyl]amino]-b-hydroxy-, (aS,bS,2S)-
CAS No:69199-37-7
MF:C12H20N2O8
MW:320.295804023743
CID:512703
PubChem ID:11067153
Update Time:2025-04-19

1-Azetidinebutanoicacid, 2-carboxy-a-[[(3S)-3-carboxy-3-hydroxypropyl]amino]-b-hydroxy-, (aS,bS,2S)- Chemical and Physical Properties

Names and Identifiers

    • 1-Azetidinebutanoicacid, 2-carboxy-a-[[(3S)-3-carboxy-3-hydroxypropyl]amino]-b-hydroxy-, (aS,bS,2S)-
    • Mugineic Acid
    • (2S)-1-[(2S,3S)-3-carboxy-3-[[(3S)-3-carboxy-3-hydroxypropyl]amino]-2-hydroxypropyl]azetidine-2-carboxylic acid
    • 4-[(2S)-2-carboxyazetidin-1-yl]-N-[(3S)-3-carboxy-3-hydroxypropyl]-L-allothreonine
    • 1-AZETIDINEBUTANOIC ACID, 2-CARBOXY-.ALPHA.-(((3S)-3-CARBOXY-3-HYDROXYPROPYL)AMINO)-.BETA.-HYDROXY-, (.ALPHA.S,.BETA.S,2S)-
    • 69199-37-7
    • UNII-KR256JY76I
    • (.ALPHA.S,.BETA.S,2S)-2-CARBOXY-.ALPHA.-(((3S)-3-CARBOXY-3-HYDROXYPROPYL)AMINO)-.BETA.-HYDROXY-1-AZETIDINEBUTANOIC ACID
    • Q27109879
    • MUGINEIC ACID, (-)-
    • KR256JY76I
    • N-(3-(3-Carboxypropylamino)-2-hydroxy-3-carboxypropyl)azetidine-2-carboxylic acid
    • 1-Azetidinebutanoic acid, 2-carboxyl-alpha-((3-carboxy-3-hydroxypropyl)amino)-beta-hydroxy-, (2S-(1(alphaR*(R*),betaR*),2R*))-
    • CHEBI:25426
    • SCHEMBL1062827
    • Inchi： 1S/C12H20N2O8/c15-7(11(19)20)1-3-13-9(12(21)22)8(16)5-14-4-2-6(14)10(17)18/h6-9,13,15-16H,1-5H2,(H,17,18)(H,19,20)(H,21,22)/t6-,7-,8-,9-/m0/s1
    • InChI Key： GJRGEVKCJPPZIT-JBDRJPRFSA-N
    • SMILES： O[C@H]([C@@H](C(=O)O)NCC[C@@H](C(=O)O)O)CN1CC[C@H]1C(=O)O

Computed Properties

  • Exact Mass: 320.122
  • Monoisotopic Mass: 320.122
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 10
  • Complexity: 429
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 168A^2
  • XLogP3: -6.7

Experimental Properties

  • Density: 1.561
  • Boiling Point: 714.4°C at 760 mmHg
  • Flash Point: 385.9°C
  • Refractive Index: 1.601

1-Azetidinebutanoicacid, 2-carboxy-a-[[(3S)-3-carboxy-3-hydroxypropyl]amino]-b-hydroxy-, (aS,bS,2S)- Related Literature

Related Categories

69199-37-7 (1-Azetidinebutanoicacid, 2-carboxy-a-[[(3S)-3-carboxy-3-hydroxypropyl]amino]-b-hydroxy-, (aS,bS,2S)-) Related Products

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