5,12-Naphthacenedione,7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-[[(1S,3R,4aS,9S,9aR,10aS)-octahydro-9-methoxy-1-methyl-1H-pyrano[4',3':4,5]oxazolo[2,3-c][1,4]oxazin-3-yl]oxy]-, (8S,10S)-


Chemical Name: 5,12-Naphthacenedione,7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-[[(1S,3R,4aS,9S,9aR,10aS)-octahydro-9-methoxy-1-methyl-1H-pyrano[4',3':4,5]oxazolo[2,3-c][1,4]oxazin-3-yl]oxy]-, (8S,10S)-
CAS Number: 202350-68-3
Product Number: AG0039XQ(AGN-PC-0QSTK2)
Synonyms:
MDL No:
Molecular Formula: C32H35NO13
Molecular Weight: 641.6192

Identification/Properties


Computed Properties
Molecular Weight:
641.626g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
14
Rotatable Bond Count:
6
Exact Mass:
641.211g/mol
Monoisotopic Mass:
641.211g/mol
Topological Polar Surface Area:
191A^2
Heavy Atom Count:
46
Formal Charge:
0
Complexity:
1200
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
8
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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