(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-6-methyl-5-[(2R)-oxan-2-yl]oxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione


Chemical Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-6-methyl-5-[(2R)-oxan-2-yl]oxyoxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
CAS Number: 72496-41-4
Product Number: AG0065SG(AGN-PC-0068I6)
Synonyms:
MDL No: MFCD00869742
Molecular Formula: C26H26O8
Molecular Weight: 466.4798

Identification/Properties


Properties
MP:
188-192°C (dec.)
BP:
834.7°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Solubility:
ethanol: soluble25mg/mL
Computed Properties
Molecular Weight:
627.643g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
13
Rotatable Bond Count:
7
Exact Mass:
627.232g/mol
Monoisotopic Mass:
627.232g/mol
Topological Polar Surface Area:
204A^2
Heavy Atom Count:
45
Formal Charge:
0
Complexity:
1120
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
7
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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