Cas no 68135-16-0 (4'-Deoxy Vincristine)

4'-Deoxy Vincristine structure
4'-Deoxy Vincristine structure
Product Name:4'-Deoxy Vincristine
CAS No:68135-16-0
MF:C46H56N4O9
MW:808.958252906799
CID:969056
PubChem ID:20055311
Update Time:2025-04-19

4'-Deoxy Vincristine Chemical and Physical Properties

Names and Identifiers

    • 4'-Deoxy Vincristine
    • 4′-Deoxy Vincristine
    • 4?-Deoxy Vincristine
    • 4-acetoxy-1-formyl-3-hydroxy-16-methoxy-15-(18-methoxycarbonyl-5,18-seco-ibogamin-18-yl)-6,7-didehydro-aspidospermidine-3-carboxylic acid methyl ester
    • 4'-Deoxy-22-oxo-vincaleukoblastine
    • SCHEMBL285304
    • 68135-16-0
    • DTXSID70601962
    • PUBCHEM_20055311
    • Methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15R,17R)-17-ethyl-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
    • Inchi: 1S/C46H56N4O9/c1-7-28-20-29-23-45(41(53)57-5,37-31(14-18-48(24-28)25-29)30-12-9-10-13-34(30)47-37)33-21-32-35(22-36(33)56-4)50(26-51)39-44(32)16-19-49-17-11-15-43(8-2,38(44)49)40(59-27(3)52)46(39,55)42(54)58-6/h9-13,15,21-22,26,28-29,38-40,47,55H,7-8,14,16-20,23-25H2,1-6H3/t28-,29-,38+,39-,40-,43-,44-,45+,46+/m1/s1
    • InChI Key: KLFUUCHXSFIPMH-VSBPWMKXSA-N
    • SMILES: O(C(C)=O)[C@H]1[C@](C(=O)OC)([C@H]2[C@@]3(C4C=C([C@]5(C(=O)OC)C6=C(C7C=CC=CC=7N6)CCN6C[C@H](CC)C[C@@H](C6)C5)C(=CC=4N2C=O)OC)CCN2CC=C[C@]1(CC)[C@H]23)O

Computed Properties

  • Exact Mass: 808.40500
  • Monoisotopic Mass: 808.40472938g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 59
  • Rotatable Bond Count: 10
  • Complexity: 1700
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 151?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Melting Point: 186-188°C
  • PSA: 150.94000
  • LogP: 4.97930

4'-Deoxy Vincristine Security Information

4'-Deoxy Vincristine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D288330-1mg
4'-Deoxy Vincristine
68135-16-0
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185.00 2021-08-14
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D288330-10mg
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1470.00 2021-08-14
SHENG KE LU SI SHENG WU JI SHU
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