Cas no 157230-10-9 (6α,3'-p-Dihydroxy Paclitaxel)

6α,3'-p-Dihydroxy Paclitaxel structure
6α,3'-p-Dihydroxy Paclitaxel structure
Product Name:6α,3'-p-Dihydroxy Paclitaxel
CAS No:157230-10-9
MF:C47H51NO16
MW:885.904955148697
CID:183468
PubChem ID:158371
Update Time:2025-04-19

6α,3'-p-Dihydroxy Paclitaxel Chemical and Physical Properties

Names and Identifiers

    • 6,3-p-Dihydroxypaclitaxel
    • 6-BROMO-1H-PYRROLO(3,2-B)PYRIDINE-3-CARBOXYLIC ACID METHYL ESTER
    • 6α,3?-p-Dihydroxy Paclitaxel
    • 6α,3'-p-Dihydroxy Paclitaxel
    • 6,3'-p-Dihydroxypaclitaxel
    • Benzenepropanoic acid, beta-(benzoylamino)-alpha,4-dihydroxy-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-3,4,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (2aR-(2aalpha,3alpha,4beta,4abeta,6beta,
    • (αR,βS)-β-(BenzoylaMino)-α,4-dihydroxybenzenepropanoic Acid 6,12b-Bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-3,4,11-trihydroxy-4a,8,13,13-tetraMethyl-5-oxo-7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl Ester
    • 6?,3'-p-Dihydroxy Paclitaxel
    • 6Alpha,3'-p-Dihydroxy Paclitaxel (1mg/mL in Dimethyl Sulfoxide)
    • J-009395
    • 6
    • 6alpha,3'-p-Dihydroxy Paclitaxel
    • Benzenepropanoic acid, beta-(benzoylamino)-alpha,4-dihydroxy-, (2aR,3S,4R,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-3,4,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (alphaR,betaS)-
    • 157230-10-9
    • 6,3'-p-dihydroxy-paclitaxel
    • 6a,3'-p-Dihydroxy Paclitaxel
    • A,3'-p-Dihydroxy Paclitaxel
    • [(1S,2S,3R,4S,7R,8S,9R,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]oxy-1,8,9-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
    • AKOS030241912
    • 6 alpha ,3'-p-Dihydroxy Paclitaxel
    • Inchi： 1S/C47H51NO16/c1-23-30(62-43(58)33(52)32(26-17-19-29(51)20-18-26)48-41(56)27-13-9-7-10-14-27)21-47(59)40(63-42(57)28-15-11-8-12-16-28)36-45(6,38(55)35(61-24(2)49)31(23)44(47,4)5)37(54)34(53)39-46(36,22-60-39)64-25(3)50/h7-20,30,32-37,39-40,51-54,59H,21-22H2,1-6H3,(H,48,56)/t30-,32-,33+,34-,35+,36-,37-,39+,40-,45-,46+,47+/m0/s1
    • InChI Key： NEGGNAWLXHJUEM-FJMWQILYSA-N
    • SMILES： O1C[C@@]2([C@H]1[C@H]([C@@H]([C@@]1(C)C([C@@H](C3=C(C)[C@H](C[C@](C3(C)C)([C@H]([C@H]21)OC(C1C=CC=CC=1)=O)O)OC([C@@H]([C@H](C1C=CC(=CC=1)O)NC(C1C=CC=CC=1)=O)O)=O)OC(C)=O)=O)O)O)OC(C)=O

Computed Properties

  • Exact Mass: 885.32100
  • Monoisotopic Mass: 885.320785
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 64
  • Rotatable Bond Count: 14
  • Complexity: 1860
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 12
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 262

Experimental Properties

  • Density: 1.46
  • Melting Point: 191-194°C
  • Boiling Point: 1011.2°Cat760mmHg
  • Flash Point: 565.4°C
  • Refractive Index: 1.656
  • PSA: 265.24000
  • LogP: 2.98690

6α,3'-p-Dihydroxy Paclitaxel Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D454200-0.25mg
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 1030.00 2021-08-14
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 $2178.00 2023-05-18
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D454200-1mg
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SHENG KE LU SI SHENG WU JI SHU
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