Cas no 64947-41-7 (b-D-Glucopyranosiduronic acid, (5a,6a)-7,8-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diylbis- (9CI))

b-D-Glucopyranosiduronic acid, (5a,6a)-7,8-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diylbis- (9CI) structure
64947-41-7 structure
Product Name:b-D-Glucopyranosiduronic acid, (5a,6a)-7,8-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diylbis- (9CI)
CAS No:64947-41-7
MF:C29H35NO15
MW:637.585910081863
CID:501279
PubChem ID:11814263
Update Time:2025-04-19

b-D-Glucopyranosiduronic acid, (5a,6a)-7,8-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diylbis- (9CI) Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranosiduronic acid, (5a,6a)-7,8-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diylbis- (9CI)
    • MORPHINE-3,6-DIGLUCURONIDE TETRAHYDRATE, DEA SCHEDULE II
    • morphine-3,6-diglucuronide
    • 64947-41-7
    • SCHEMBL3017103
    • Morphine 3,6-diglucuronide
    • DTXSID901018778
    • Inchi： 1S/C29H35NO15/c1-30-7-6-29-10-3-5-13(42-28-20(36)16(32)18(34)23(45-28)26(39)40)24(29)43-21-12(4-2-9(14(21)29)8-11(10)30)41-27-19(35)15(31)17(33)22(44-27)25(37)38/h2-5,10-11,13,15-20,22-24,27-28,31-36H,6-8H2,1H3,(H,37,38)(H,39,40)/t10-,11+,13-,15-,16-,17-,18-,19+,20+,22-,23-,24-,27+,28+,29-/m0/s1
    • InChI Key： YQLJMXCBZXPULR-OUPJPUQNSA-N
    • SMILES： O1C2=C(C=CC3C[C@@H]4[C@@H]5C=C[C@@H]([C@H]1[C@@]5(C=32)CCN4C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)O)O)O

Computed Properties

  • Exact Mass: 637.20066941g/mol
  • Monoisotopic Mass: 637.20066941g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 45
  • Rotatable Bond Count: 6
  • Complexity: 1200
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 15
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -4.4
  • Topological Polar Surface Area: 245?2

Experimental Properties

  • Melting Point: 240-245?°C (dec.)

b-D-Glucopyranosiduronic acid, (5a,6a)-7,8-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diylbis- (9CI) Security Information

  • Hazard Category Code： 20/21/22-43
  • Safety Instruction： 36/37
  • Hazardous Material Identification： Xn
  • Storage Condition：2-8°C

b-D-Glucopyranosiduronic acid, (5a,6a)-7,8-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diylbis- (9CI) Related Literature

Related Categories

64947-41-7 (b-D-Glucopyranosiduronic acid, (5a,6a)-7,8-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diylbis- (9CI)) Related Products

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