Cas no 91432-46-1 (1,3-Benzodioxole-5-carboxylicacid, 2-(aminocarbonyl)-3a,6,7,7a-tetrahydro-7-hydroxy-2-methyl-, methyl ester,(2S,3aR,7R,7aR)-)

1,3-Benzodioxole-5-carboxylicacid, 2-(aminocarbonyl)-3a,6,7,7a-tetrahydro-7-hydroxy-2-methyl-, methyl ester,(2S,3aR,7R,7aR)- structure
91432-46-1 structure
Product Name:1,3-Benzodioxole-5-carboxylicacid, 2-(aminocarbonyl)-3a,6,7,7a-tetrahydro-7-hydroxy-2-methyl-, methyl ester,(2S,3aR,7R,7aR)-
CAS No:91432-46-1
MF:C11H15NO6
MW:257.239903688431
CID:808798
PubChem ID:124640
Update Time:2025-04-19

1,3-Benzodioxole-5-carboxylicacid, 2-(aminocarbonyl)-3a,6,7,7a-tetrahydro-7-hydroxy-2-methyl-, methyl ester,(2S,3aR,7R,7aR)- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzodioxole-5-carboxylicacid, 2-(aminocarbonyl)-3a,6,7,7a-tetrahydro-7-hydroxy-2-methyl-, methyl ester,(2S,3aR,7R,7aR)-
    • dioxolamycin
    • 91432-46-1
    • DTXSID90919733
    • 4-Hydroxy-6-(methoxycarbonyl)-2-methyl-3a,4,5,7a-tetrahydro-2H-1,3-benzodioxole-2-carboximidic acid
    • 1,3-Benzodioxole-5-carboxylic acid, 2-(aminocarbonyl)-3a,6,7,7a-tetrahydro-7-hydroxy-2-methyl-, methyl ester, (2S-(2alpha,3aalpha,7alpha,7abeta))-
    • 1,3-Benzodioxole-5-carboxylic acid, 3a,6,7,7a-tetrahydro-2-(aminocarbonyl)-7-hydroxy-2-methyl-, methyl ester, (2S-(2-alpha,3a-alpha,7-alpha,7a-beta))-
    • methyl (2S,3aR,7aR)-2-carbamoyl-7-hydroxy-2-methyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
    • Methyl 8-carbamoyl-5-hydroxy-8-methyl-7,9-dioxabicyclo(4,3,0)non-2-ene-3-carboxylate
    • Inchi： 1S/C11H15NO6/c1-11(10(12)15)17-7-4-5(9(14)16-2)3-6(13)8(7)18-11/h4,6-8,13H,3H2,1-2H3,(H2,12,15)/t6?,7-,8-,11+/m1/s1
    • InChI Key： SHAXHGRARCZUPJ-YEHZVILMSA-N
    • SMILES： O1[C@](C(N)=O)(C)O[C@@H]2C=C(C(=O)OC)CC([C@@H]12)O

Computed Properties

  • Exact Mass: 257.09
  • Monoisotopic Mass: 257.09
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 420
  • 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
  • Topological Polar Surface Area: 108A^2
  • XLogP3: -1.3

Experimental Properties

  • Density: 1.386
  • Boiling Point: 498.8°C at 760 mmHg
  • Flash Point: 255.5°C
  • Refractive Index: 1.542

1,3-Benzodioxole-5-carboxylicacid, 2-(aminocarbonyl)-3a,6,7,7a-tetrahydro-7-hydroxy-2-methyl-, methyl ester,(2S,3aR,7R,7aR)- Related Literature

Related Categories

91432-46-1 (1,3-Benzodioxole-5-carboxylicacid, 2-(aminocarbonyl)-3a,6,7,7a-tetrahydro-7-hydroxy-2-methyl-, methyl ester,(2S,3aR,7R,7aR)-) Related Products

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