Cas no 116276-03-0 (D-Alanine,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-Alanine,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
116276-03-0 structure
Product Name:D-Alanine,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:116276-03-0
MF:C28H23NO11
MW:549.482328653336
CID:143095
PubChem ID:453742
Update Time:2025-04-19

D-Alanine,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-Alanine,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)-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-Alanine,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]carbo
    • Pradimicinone
    • BMY-28750
    • Benanomicinone
    • Pradimicinone I
    • N-[[(5S)-1,5α,6β,9,14-Pentahydroxy-3-methyl-8,13-dioxo-11-methoxy-5,6,8,13-tetrahydrobenzo[a]naphthacene-2-yl]carbonyl]-D-alanine
    • N-[[[(5S)-5,6,8,13-Tetrahydro-1,5α,6β,9,14-pentahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen]-2-yl]carbonyl]-D-alanine
    • BMY 28750
    • D-Alanine, 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, 6S)-
    • DTXSID10151330
    • D-Alanine, 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, 6S)-
    • 116276-03-0
    • Pradimicin AG-2
    • PMNI
    • Benanomicinone AGL
    • AG 2
    • Inchi： 1S/C28H23NO11/c1-8-4-11-18(25(35)16(8)27(37)29-9(2)28(38)39)19-13(24(34)23(11)33)7-14-20(26(19)36)22(32)12-5-10(40-3)6-15(30)17(12)21(14)31/h4-7,9,23-24,30,33-36H,1-3H3,(H,29,37)(H,38,39)/t9-,23+,24+/m1/s1
    • InChI Key： MXDWXJYFRRURMW-ILWJZNQRSA-N
    • SMILES： O[C@H]1C2C=C3C(C4C(=CC(=CC=4C(C3=C(C=2C2C(=C(C(N[C@@H](C(=O)O)C)=O)C(C)=CC=2[C@@H]1O)O)O)=O)OC)O)=O

Computed Properties

  • Exact Mass: 549.12709
  • Monoisotopic Mass: 549.127
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 4
  • Complexity: 1050
  • 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
  • XLogP3: 2.8
  • Topological Polar Surface Area: 211?2

Experimental Properties

  • Density: 1.647
  • Boiling Point: 903.2°C at 760 mmHg
  • Flash Point: 500.1°C
  • Refractive Index: 1.747
  • PSA: 210.92

D-Alanine,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

Related Categories

116276-03-0 (D-Alanine,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

Recommended suppliers
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Changzhou Guanjia Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Changzhou Guanjia Chemical Co., Ltd
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Nanjing jingzhu bio-technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing jingzhu bio-technology Co., Ltd.
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk