Cas no 119323-52-3 (H-D-Allo-thr(tbu)-oh)

H-D-Allo-thr(tbu)-oh structure
H-D-Allo-thr(tbu)-oh structure
Product Name:H-D-Allo-thr(tbu)-oh
CAS No:119323-52-3
MF:C8H17NO3
MW:175.225
MDL:MFCD00153464
CID:3162346
PubChem ID:7408291
Update Time:2024-11-03

H-D-Allo-thr(tbu)-oh Chemical and Physical Properties

Names and Identifiers

    • H-Thr(t-Bu)-OH
    • (2R,3R)-2-Amino-3-(tert-butoxy)butanoic acid
    • H-D-allo-Thr(tBu)-OH
    • D-Thr(tBu)-OH
    • H-D-THR(TBU)-OH
    • D-THREONINE(TBU)-OH
    • O-T-BUTYL-D-THREONINE
    • (2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid
    • (2R,3R)-2-Amino-3-(tert-butoxy)butanoicacid
    • CS-0158220
    • MFCD00153464
    • (2R,3R)-2-azaniumyl-3-[(2-methylpropan-2-yl)oxy]butanoate
    • AKOS027250956
    • D-Allothreonine, O-(1,1-dimethylethyl)-
    • (2R,3R)-2-amino-3-tert-butoxybutanoic acid
    • DS-10075
    • 119323-52-3
    • C71639
    • H-D-Allo-thr(tbu)-oh
    • MDL: MFCD00153464
    • Inchi: InChI=1S/C8H17NO3/c1-5(6(9)7(10)11)12-8(2,3)4/h5-6H,9H2,1-4H3,(H,10,11)/t5-,6-/m1/s1
    • InChI Key: NMJINEMBBQVPGY-PHDIDXHHSA-N
    • SMILES: C[C@H]([C@H](C(=O)O)N)OC(C)(C)C

Computed Properties

  • Exact Mass: 175.12100
  • Monoisotopic Mass: 175.12084340g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 162
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -2.1
  • Topological Polar Surface Area: 72.6?2

Experimental Properties

  • Density: 1.055±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 275.3±30.0 oC (760 Torr),
  • Flash Point: 120.3±24.6 oC,
  • Solubility: Dissolution (49 g/l) (25 o C),
  • PSA: 72.55000
  • LogP: 1.30220

H-D-Allo-thr(tbu)-oh Pricemore >>

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