Cas no 28008-54-0 ((7S,9S)-9-Acetyl-7-[(2R,4S,5S,6S)-4-amino-5-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione)

(7S,9S)-9-Acetyl-7-[(2R,4S,5S,6S)-4-amino-5-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione structure
28008-54-0 structure
Product Name:(7S,9S)-9-Acetyl-7-[(2R,4S,5S,6S)-4-amino-5-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
CAS No:28008-54-0
MF:C33H40N2O12
MW:656.676910400391
CID:264370
Update Time:2024-02-29

(7S,9S)-9-Acetyl-7-[(2R,4S,5S,6S)-4-amino-5-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione Chemical and Physical Properties

Names and Identifiers

    • 5,12-Naphthacenedione,8-acetyl-10-[[3-amino-4-O-(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-,(8S,10S)-
    • (8S,10S)-8-Acetyl-10-[[4-O-(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)-3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione
    • Daunosamnyl-daunorubicin
    • Daunosamnyl - daunorubicin
    • 3-Acetyl-3,5,1
    • (7S,9S)-9-Acetyl-7-[(2R,4S,5S,6S)-4-amino-5-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6
    • (7S,9S)-9-Acetyl-7-[(2R,4S,5S,6S)-4-amino-5-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
    • Inchi： 1S/C33H40N2O12/c1-12-27(37)17(34)8-22(44-12)47-32-13(2)45-21(9-18(32)35)46-20-11-33(42,14(3)36)10-16-24(20)31(41)26-25(29(16)39)28(38)15-6-5-7-19(43-4)23(15)30(26)40/h5-7,12-13,17-18,20-22,27,32,37,39,41-42H,8-11,34-35H2,1-4H3/t12-,13-,17-,18-,20-,21-,22-,27+,32+,33-/m0/s1
    • InChI Key： HCMSUFXIFYKIOL-RPYJURNCSA-N
    • SMILES： O([C@H]1C[C@@H]([C@@H]([C@H](C)O1)O[C@H]1C[C@@H]([C@@H]([C@H](C)O1)O)N)N)[C@@H]1C2C(=C3C(C4C(=CC=CC=4C(C3=C(C=2C[C@@](C(C)=O)(C1)O)O)=O)OC)=O)O

Computed Properties

  • Exact Mass: 656.258125
  • Monoisotopic Mass: 656.258125
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 47
  • Rotatable Bond Count: 6
  • Complexity: 1210
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 230

Experimental Properties

  • Density: 1.51
  • Boiling Point: 857.4°Cat760mmHg
  • Flash Point: 472.3°C
  • Refractive Index: 1.672

(7S,9S)-9-Acetyl-7-[(2R,4S,5S,6S)-4-amino-5-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione Related Literature

Related Categories

28008-54-0 ((7S,9S)-9-Acetyl-7-[(2R,4S,5S,6S)-4-amino-5-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione) Related Products

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