Cas no 117678-63-4 (Cyclohexaneheptanoicacid, b-hydroxy-2-[(2-methyl-1-oxobutoxy)methyl]-d-oxo-, [1R-[1a(R*),2b(S*)]]- (9CI))

Cyclohexaneheptanoicacid, b-hydroxy-2-[(2-methyl-1-oxobutoxy)methyl]-d-oxo-, [1R-[1a(R*),2b(S*)]]- (9CI) structure
117678-63-4 structure
Product Name:Cyclohexaneheptanoicacid, b-hydroxy-2-[(2-methyl-1-oxobutoxy)methyl]-d-oxo-, [1R-[1a(R*),2b(S*)]]- (9CI)
CAS No:117678-63-4
MF:C19H32O6
MW:356.453786849976
CID:156842
PubChem ID:3082870
Update Time:2025-04-19

Cyclohexaneheptanoicacid, b-hydroxy-2-[(2-methyl-1-oxobutoxy)methyl]-d-oxo-, [1R-[1a(R*),2b(S*)]]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Cyclohexaneheptanoicacid, b-hydroxy-2-[(2-methyl-1-oxobutoxy)methyl]-d-oxo-, [1R-[1a(R*),2b(S*)]]- (9CI)
    • (3R)-3-hydroxy-7-[(1R,2S)-2-[[(2S)-2-methylbutanoyl]oxymethyl]cyclohexyl]-5-oxoheptanoic acid
    • 7-(2'-((2''-methyl-1''-oxobutoxy)methyl)-1'-cyclohexyl)-3-hydroxy-5-oxoheptanoic acid
    • Cyclohexaneheptanoicacid, b-hydroxy-2-[(2-methyl-1-oxobutoxy)methyl]-d-oxo-, [1R-[1a(R*),2b(S*...
    • (1R-(1alpha(R*),2beta(S*)))-beta-Hydroxy-2-((2-methyl-1-oxobutoxy)methyl)-delta-oxocyclohexaneheptanoic acid
    • (3R)-3-hydroxy-7-[(1R,2S)-2-({[(2S)-2-methylbutanoyl]oxy}methyl)cyclohexyl]-5-oxoheptanoic acid
    • Cyclohexaneheptanoic acid, beta-hydroxy-2-((2-methyl-1-oxobutoxy)methyl)-delta-oxo-, (1R-(1alpha(R*),2beta(S*)))-
    • Momc acid
    • BDBM50391272
    • CHEMBL148721
    • 3-Hydroxy-7-(2-{[(2-methylbutanoyl)oxy]methyl}cyclohexyl)-5-oxoheptanoic acid
    • 117678-63-4
    • DTXSID40922515
    • 7-(2/'-((2/'/'-methyl-1/'/'-oxobutoxy)methyl)-1/'-cyclohexyl)-3-hydroxy-5-oxoheptanoic acid
    • Inchi： 1S/C19H32O6/c1-3-13(2)19(24)25-12-15-7-5-4-6-14(15)8-9-16(20)10-17(21)11-18(22)23/h13-15,17,21H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15+,17+/m0/s1
    • InChI Key： AYDQTMUTROEPAE-KLZNWCGWSA-N
    • SMILES： O(C([C@@H](C)CC)=O)C[C@H]1CCCC[C@@H]1CCC(C[C@H](CC(=O)O)O)=O

Computed Properties

  • Exact Mass: 356.21996
  • Monoisotopic Mass: 356.22
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 12
  • Complexity: 447
  • 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
  • XLogP3: 2.6
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • Density: 1.101
  • Boiling Point: 520.2°Cat760mmHg
  • Flash Point: 177.4°C
  • Refractive Index: 1.485
  • PSA: 100.9

Cyclohexaneheptanoicacid, b-hydroxy-2-[(2-methyl-1-oxobutoxy)methyl]-d-oxo-, [1R-[1a(R*),2b(S*)]]- (9CI) Related Literature

117678-63-4 (Cyclohexaneheptanoicacid, b-hydroxy-2-[(2-methyl-1-oxobutoxy)methyl]-d-oxo-, [1R-[1a(R*),2b(S*)]]- (9CI)) Related Products

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