Cas no 6968-16-7 (1,2,3,4-Butanetetrol,(2R,3R)-rel-)

1,2,3,4-Butanetetrol,(2R,3R)-rel- structure
6968-16-7 structure
Product Name:1,2,3,4-Butanetetrol,(2R,3R)-rel-
CAS No:6968-16-7
MF:C4H10O4
MW:122.119801998138
CID:516715
PubChem ID:8998
Update Time:2025-04-19

1,2,3,4-Butanetetrol,(2R,3R)-rel- Chemical and Physical Properties

Names and Identifiers

    • 1,2,3,4-Butanetetrol,(2R,3R)-rel-
    • butane-1,2,3,4-tetrol
    • DL-Threitol
    • (rac)-threitol
    • DL-1,2,3,4-BUTANETETROL
    • Nsc20660
    • rac-threitol
    • EINECS 231-418-3
    • 1,2,3,4-Tetrahydroxybutane
    • SB44878
    • FT-0628023
    • HMS3652N15
    • FT-0625699
    • SCHEMBL36228
    • Tetritol
    • 6968-16-7
    • 7541-59-5
    • NSC-20660
    • E-3000
    • NS00013656
    • bmse000100
    • AKOS005445107
    • CHEMBL402812
    • 2(R),3(S)-1,2,3,4-Butanetetrol
    • 7493-90-5
    • NCGC00248705-01
    • D172AE70-F62C-413D-A64B-686F547D8D77
    • FT-0654570
    • Erythrol
    • 1,2,3,4-Tetrahydroxybutane, (R*,S*)-
    • 1,2,3,4-Butanetetrol, (R*,R*)-(A+/-)-
    • bmse000121
    • 1,2,3,4-Butanetetrol, [S-(R*,R*)]-
    • Lichen sugar
    • Erythritol, meso-
    • DTXSID70859289
    • CHEBI:48299
    • Erythrol (VAN)
    • butane-1,2,3,4-tetraol
    • UNXHWFMMPAWVPI-UHFFFAOYSA-N
    • SB44744
    • (2s,3s)-butane-1,2,3,4-tetraol
    • CHEBI:33729
    • STK368180
    • 1,2,3,4-Butanetetrol, (R*,R*)-(+/-)-
    • tetritols
    • DTXCID30209867
    • Inchi: 1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2
    • InChI Key: UNXHWFMMPAWVPI-UHFFFAOYSA-N
    • SMILES: OC(CO)C(CO)O

Computed Properties

  • Exact Mass: 122.0579
  • Monoisotopic Mass: 122.058
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 48
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 80.9A^2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing

Experimental Properties

  • Density: 1.0151 (rough estimate)
  • Melting Point: 90°C
  • Boiling Point: 147.51°C (rough estimate)
  • Refractive Index: 1.4502 (estimate)
  • PSA: 80.92
  • LogP: -2.30720

1,2,3,4-Butanetetrol,(2R,3R)-rel- Security Information

  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26-36
  • Hazardous Material Identification: Xi
  • Risk Phrases:36/37/38

1,2,3,4-Butanetetrol,(2R,3R)-rel- Pricemore >>

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