Cas no 148763-58-0 (D-Alanine,N-[[5-[[4,6-dideoxy-4-(methylamino)-3-O-b-D-xylopyranosyl-b-D-galactopyranosyl]oxy]-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]-,(2,2-dimethyl-1-oxopropoxy)methyl ester, (5S-trans)- (9CI))

D-Alanine,N-[[5-[[4,6-dideoxy-4-(methylamino)-3-O-b-D-xylopyranosyl-b-D-galactopyranosyl]oxy]-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]-,(2,2-dimethyl-1-oxopropoxy)methyl ester, (5S-trans)- (9CI) structure
148763-58-0 structure
Product Name:D-Alanine,N-[[5-[[4,6-dideoxy-4-(methylamino)-3-O-b-D-xylopyranosyl-b-D-galactopyranosyl]oxy]-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]-,(2,2-dimethyl-1-oxopropoxy)methyl ester, (5S-trans)- (9CI)
CAS No:148763-58-0
MF:C46H54N2O20
MW:954.922375202179
CID:145070
PubChem ID:3073451
Update Time:2025-04-19

D-Alanine,N-[[5-[[4,6-dideoxy-4-(methylamino)-3-O-b-D-xylopyranosyl-b-D-galactopyranosyl]oxy]-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]-,(2,2-dimethyl-1-oxopropoxy)methyl ester, (5S-trans)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • D-Alanine,N-[[5-[[4,6-dideoxy-4-(methylamino)-3-O-b-D-xylopyranosyl-b-D-galactopyranosyl]oxy]-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]-,(2,2-dimethyl-1-oxopropoxy)methyl ester, (5S-trans)- (9CI)
    • LogP
    • D-Alanine,N-[[5-[[4,6-dideoxy-4-(methylamino)-3-O-b-D-xylopyranosyl-b-D-galactopyranosyl]oxy]-5,6,8,13-tetrahydro-1,6,9,14-te
    • Pradimicin A pivaloyloxymethyl ester
    • 5-{[4,6-Dideoxy-4-(methylamino)-3-O-pentopyranosylhexopyranosyl]oxy}-N-(1-{[(2,2-dimethylpropanoyl)oxy]methoxy}-1-oxopropan-2-yl)-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboximidic acid
    • D-Alanine, N-((5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (5S-trans)-
    • DTXSID10933476
    • 148763-58-0
    • Inchi： 1S/C46H54N2O20/c1-15-9-22-28(35(55)25(15)41(59)48-16(2)42(60)64-14-65-45(61)46(4,5)6)27-20(12-21-29(36(27)56)32(52)19-10-18(62-8)11-23(49)26(19)31(21)51)33(53)39(22)67-44-38(58)40(30(47-7)17(3)66-44)68-43-37(57)34(54)24(50)13-63-43/h9-12,16-17,24,30,33-34,37-40,43-44,47,49-50,53-58H,13-14H2,1-8H3,(H,48,59)
    • InChI Key： GYCXDYUWDRPIKW-UHFFFAOYSA-N
    • SMILES： O1C(C(C(C(C1C)NC)OC1C(C(C(CO1)O)O)O)O)OC1C2C=C(C)C(C(NC(C(=O)OCOC(C(C)(C)C)=O)C)=O)=C(C=2C2C(=C3C(C4C=C(C=C(C=4C(C3=CC=2C1O)=O)O)OC)=O)O)O

Computed Properties

  • Exact Mass: 954.327
  • Monoisotopic Mass: 954.327
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 21
  • Heavy Atom Count: 68
  • Rotatable Bond Count: 14
  • Complexity: 1850
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 12
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 336?2

Experimental Properties

  • Density: 1.57
  • Boiling Point: 1119.2°C at 760 mmHg
  • Flash Point: 630.7°C
  • Refractive Index: 1.683

D-Alanine,N-[[5-[[4,6-dideoxy-4-(methylamino)-3-O-b-D-xylopyranosyl-b-D-galactopyranosyl]oxy]-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]-,(2,2-dimethyl-1-oxopropoxy)methyl ester, (5S-trans)- (9CI) Related Literature

148763-58-0 (D-Alanine,N-[[5-[[4,6-dideoxy-4-(methylamino)-3-O-b-D-xylopyranosyl-b-D-galactopyranosyl]oxy]-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]-,(2,2-dimethyl-1-oxopropoxy)methyl ester, (5S-trans)- (9CI)) Related Products

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