Cas no 150134-47-7 (D-Serine,N-[[(5S,6S)-5,6,8,13-tetrahydro-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]-(9CI))

D-Serine,N-[[(5S,6S)-5,6,8,13-tetrahydro-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]-(9CI) structure
150134-47-7 structure
Product Name:D-Serine,N-[[(5S,6S)-5,6,8,13-tetrahydro-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]-(9CI)
CAS No:150134-47-7
MF:C28H23NO12
MW:565.481728792191
CID:141689
PubChem ID:461580
Update Time:2025-04-19

D-Serine,N-[[(5S,6S)-5,6,8,13-tetrahydro-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]-(9CI) Chemical and Physical Properties

Names and Identifiers

    • D-Serine,N-[[(5S,6S)-5,6,8,13-tetrahydro-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]-(9CI)
    • (2R)-3-hydroxy-2-[[(5S,6S)-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]propanoic acid
    • D-Serine,N-[[(5S,6S)-5,6,8,13-tetrahydro-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbon
    • 150134-47-7
    • DTXSID80164477
    • D-Serine, N-[(5,6,8,13-tetrahydro-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl)carbonyl]-, (5S-trans)-
    • BMY-28962
    • D-Serine, N-((5,6,8,13-tetrahydro-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-
    • BMY 28962
    • Inchi： 1S/C28H23NO12/c1-8-3-10-18(25(36)16(8)27(38)29-14(7-30)28(39)40)19-12(24(35)23(10)34)6-13-20(26(19)37)22(33)11-4-9(41-2)5-15(31)17(11)21(13)32/h3-6,14,23-24,30-31,34-37H,7H2,1-2H3,(H,29,38)(H,39,40)/t14-,23+,24+/m1/s1
    • InChI Key： WKKOEIKVBMLJQH-HMCSHOMXSA-N
    • SMILES： O[C@H]1C2C=C3C(C4C(=CC(=CC=4C(C3=C(C=2C2C(=C(C(N[C@@H](C(=O)O)CO)=O)C(C)=CC=2[C@@H]1O)O)O)=O)OC)O)=O

Computed Properties

  • Exact Mass: 565.12199
  • Monoisotopic Mass: 565.122025
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 41
  • Rotatable Bond Count: 5
  • Complexity: 1070
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 231
  • XLogP3: 1.7

Experimental Properties

  • Density: 1.707
  • Boiling Point: 951.3°C at 760 mmHg
  • Flash Point: 529.1°C
  • Refractive Index: 1.766
  • PSA: 231.15

D-Serine,N-[[(5S,6S)-5,6,8,13-tetrahydro-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]-(9CI) Related Literature

150134-47-7 (D-Serine,N-[[(5S,6S)-5,6,8,13-tetrahydro-1,5,6,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]-(9CI)) Related Products

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