Cas no 135429-21-9 (D-Glucose, polymer with glucitol and 2-hydroxy-1,2,3-propanetricarboxylic acid)

D-Glucose, polymer with glucitol and 2-hydroxy-1,2,3-propanetricarboxylic acid structure
135429-21-9 structure
Product Name:D-Glucose, polymer with glucitol and 2-hydroxy-1,2,3-propanetricarboxylic acid
CAS No:135429-21-9
MF:C18H34O19
MW:554.45116853714
CID:2654222
Update Time:2023-08-07

D-Glucose, polymer with glucitol and 2-hydroxy-1,2,3-propanetricarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol,2-hydroxypropane-1,2,3-tricarboxylic acid,(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
    • D-Glucose, polymer with glucitol and 2-hydroxy-1,2,3-propanetricarboxylic acid
    • Inchi: 1S/C6H8O7.C6H14O6.C6H12O6/c7-3(8)1-6(13,5(11)12)2-4(9)10;2*7-1-3(9)5(11)6(12)4(10)2-8/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-12H,1-2H2;1,3-6,8-12H,2H2/t;3-,4+,5-,6-;3-,4+,5+,6+/m.10/s1
    • InChI Key: CMCSBODSLUCSCP-QSWWSNBCSA-N
    • SMILES: O[C@H]([C@@H](CO)O)[C@@H]([C@H](CO)O)O.O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O.OC(C(=O)O)(CC(=O)O)CC(=O)O

Computed Properties

  • Exact Mass: 554.169
  • Monoisotopic Mass: 554.169
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 15
  • Hydrogen Bond Acceptor Count: 19
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 15
  • Complexity: 470
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 372
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