Cas no 4752-90-3 ([6-(4-acetamido-2-oxopyrimidin-1-yl)-4,5-diacetyloxy-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl Acetate)

[6-(4-acetamido-2-oxopyrimidin-1-yl)-4,5-diacetyloxy-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl Acetate structure
4752-90-3 structure
Product Name:[6-(4-acetamido-2-oxopyrimidin-1-yl)-4,5-diacetyloxy-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl Acetate
CAS No:4752-90-3
MF:C32H41N3O19
MW:771.676650762558
CID:931100
PubChem ID:266663
Update Time:2025-04-19

[6-(4-acetamido-2-oxopyrimidin-1-yl)-4,5-diacetyloxy-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl Acetate Chemical and Physical Properties

Names and Identifiers

    • [6-(4-acetamido-2-oxopyrimidin-1-yl)-4,5-diacetyloxy-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl Acetate
    • (1s,3as,4s,7r,7ar)-3-oxo-1,3,3a,4,7,7a-hexahydro-4,7-methano-2-benzofuran-1-yl methylcarbamate
    • LU 253
    • Moxadolena
    • Moxadolena [INN-Spanish]
    • Moxadolene
    • Moxadolene [INN-French]
    • Moxadolenum
    • Moxadolenum [INN-Latin]
    • NSC409374
    • 4752-93-6
    • 80064-99-9
    • NSC-409374
    • NSC105400
    • NSC-409251
    • NSC-105400
    • 4752-90-3
    • NSC409251
    • Inchi： 1S/C32H41N3O19/c1-13(36)33-23-9-10-35(32(44)34-23)30-28(50-19(7)42)26(48-17(5)40)25(21(52-30)11-45-14(2)37)54-31-29(51-20(8)43)27(49-18(6)41)24(47-16(4)39)22(53-31)12-46-15(3)38/h9-10,21-22,24-31H,11-12H2,1-8H3,(H,33,34,36,44)
    • InChI Key： KMPZVSODXRMBSO-UHFFFAOYSA-N
    • SMILES： O(C1C(C(C(C(COC(C)=O)O1)OC(C)=O)OC(C)=O)OC(C)=O)C1C(COC(C)=O)OC(C(C1OC(C)=O)OC(C)=O)N1C(N=C(C=C1)NC(C)=O)=O

Computed Properties

  • Exact Mass: 771.23343
  • Monoisotopic Mass: 771.233426
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 19
  • Heavy Atom Count: 54
  • Rotatable Bond Count: 20
  • Complexity: 1560
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 10
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: _0.6
  • Topological Polar Surface Area: 274

Experimental Properties

  • Density: 1.5g/cm3
  • Refractive Index: 1.586
  • PSA: 273.56
  • LogP: -0.93310

[6-(4-acetamido-2-oxopyrimidin-1-yl)-4,5-diacetyloxy-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl Acetate Related Literature

4752-90-3 ([6-(4-acetamido-2-oxopyrimidin-1-yl)-4,5-diacetyloxy-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl Acetate) Related Products

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