Cas no 102601-31-0 ((+/-)-CITRAMALIC ACID SODIUM SALT)

(+/-)-CITRAMALIC ACID SODIUM SALT structure
102601-31-0 structure
Product Name:(+/-)-CITRAMALIC ACID SODIUM SALT
CAS No:102601-31-0
MF:C5H8O5
MW:148.114022254944
CID:125141
PubChem ID:1081
Update Time:2025-04-18

(+/-)-CITRAMALIC ACID SODIUM SALT Chemical and Physical Properties

Names and Identifiers

    • (+/-)-CITRAMALIC ACID SODIUM SALT
    • DL-2-METHYLMALIC ACID
    • PLUS-MINUS-CITRAMALIC ACID SODIUMCRYSTAL LINE
    • 2-hydroxy-2-methylbutanedioate
    • AKOS024319127
    • DTXSID40862265
    • 2-Hydroxy-2-methylbutane-1,4-dioic acid
    • 2-Hydroxy-2-methyl-butanedioic acid
    • UNII-FGC721P65H
    • 2-Deoxy-3-C-methyltetrarate
    • 2-Hydroxy-2-methyl-butanedioate
    • EINECS 209-901-5
    • Malic acid, 2-methyl-
    • (+-)-2-hydroxy-2-methylsuccinic acid
    • FGC721P65H
    • EN300-109891
    • 2306-22-1
    • XFTRTWQBIOMVPK-UHFFFAOYSA-N
    • 2-Hydroxy-2-methylsuccinicacid
    • alpha-Hydroxypyrotartaric acid
    • 2-hydroxy-2-methylbutanedioic acid
    • NSC-80648
    • 2-Hydroxy-2-methylsuccinic acid
    • FT-0726023
    • FT-0605274
    • 20C88B9D-45B9-4A5D-B2F1-B824903784F3
    • butanedioic acid, 2-hydroxy-2-methyl-
    • 2-Methylmalic acid
    • (RS)-citramalic acid
    • (+/-)-.ALPHA.-METHYLMALIC ACID
    • (+/-)-Citramalic acid dipotassium salt
    • Z1255442426
    • (1)-2-Hydroxy-2-methylsuccinic acid
    • 597-44-4
    • 2-Deoxy-3-C-methyltetraric acid
    • entecavirhydrate
    • CHEBI:15584
    • (R,S)-beta-Methylmalate
    • AT23394
    • FT-0773291
    • NS00014571
    • (+/-)-CITRAMALIC ACID
    • C00815
    • NSC 80648
    • (S)-(+)-CITRAMALICACID
    • (+/-)-2-METHYLMALIC ACID
    • citramalate
    • SCHEMBL61203
    • (b)-2-Methylmalic acid
    • CS-0231763
    • Citramalic acid
    • (b)-2-Methylmalate
    • (b)-Citramalate
    • (R,S)-b-Methylmalate
    • alpha-methylmalate
    • (R,S)-(b)-Citramalate
    • 102601-31-0
    • 2-methyl-(b)-Malic acid
    • 2-hydroxy-2-methyl-(b)-Butanedioic acid
    • CITRAMALIC ACID, (+/-)-
    • 2-hydroxy-2-methyl-(b)-Butanedioate
    • Q27098121
    • NSC80648
    • DL-Citramalate
    • (R,S)-(b)-Citramalic acid
    • (b)-Citramalic acid
    • 2-methyl-(b)-Malate
    • CITRAMALIC ACID [MI]
    • DL-Citramalic acid
    • (r,s)-b-methylmalic acid
    • (R,S)-beta-Methylmalic acid
    • Inchi: 1S/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)
    • InChI Key: XFTRTWQBIOMVPK-UHFFFAOYSA-N
    • SMILES: OC(C(=O)O)(C)CC(=O)O

Computed Properties

  • Exact Mass: 192.00100
  • Monoisotopic Mass: 148.03717335g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 163
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.9
  • Topological Polar Surface Area: 94.8?2

Experimental Properties

  • PSA: 100.49000
  • LogP: -3.37270

(+/-)-CITRAMALIC ACID SODIUM SALT Security Information

  • WGK Germany:3
  • Safety Term:WGK Germany 3

(+/-)-CITRAMALIC ACID SODIUM SALT Related Literature

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