Product name:Actinobolin
Product description:It is often used as pharmaceutical intermediates for pharmaceutical synthesis.
Synonyms:
NSC31083
NCI60_002679
Isocoumarin, 4-(2-aminopropionamido)-3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-
24397-89-5
Propanamide, 2-amino-N-(3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl)-
Propanamide, 2-amino-N-(3,4,4a,5,6,7-hexahydro-5,6,8-trihydroxy-3-methyl-1-oxo-1H-2-benzopyran-4-yl)-, [3R-[3.alpha.,4.alpha.(S*),4a.beta.,5.beta.,6.alpha.]]-
Properties Computed from Structure:
Molecular Weight 300.3077 [g/mol]
Molecular Formula C13H20N2O6
XLogP -1.7
H-Bond Donor 5
H-Bond Acceptor 7
Rotatable Bond Count 2
Tautomer Count 10
Exact Mass 300.132136
MonoIsotopic Mass 300.132136
Topological Polar Surface Area 142
Heavy Atom Count 21
Formal Charge 0
Complexity 491
Isotope Atom Count 0
Defined Atom StereoCenter Count 6
Undefined Atom StereoCenter Count 0
Defined Bond StereoCenter Count 0
Undefined Bond StereoCenter Count 0
Covalently-Bonded Unit Count 1