 Home > Encyclopedia > N-[(3S,4S,4aS,5R)-3-(dichloromethyl)-5,8-dihydroxy-3-methyl-1-oxo-4a,5-dihydro-4H-isochromen-4-yl]-2-aminopropanamide

N-[(3S,4S,4aS,5R)-3-(dichloromethyl)-5,8-dihydroxy-3-methyl-1-oxo-4a,5-dihydro-4H-isochromen-4-yl]-2-aminopropanamide

N-[(3S,4S,4aS,5R)-3-(dichloromethyl)-5,8-dihydroxy-3-methyl-1-oxo-4a,5-dihydro-4H-isochromen-4-yl]-2-aminopropanamide structure

CAS No:
142429-33-2
Formula:
C14H18Cl2N2O5
Chemical Name:
N-[(3S,4S,4aS,5R)-3-(dichloromethyl)-5,8-dihydroxy-3-methyl-1-oxo-4a,5-dihydro-4H-isochromen-4-yl]-2-aminopropanamide
Synonyms:
6-Ene-bactobolin;

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N-[(3S,4S,4aS,5R)-3-(dichloromethyl)-5,8-dihydroxy-3-methyl-1-oxo-4a,5-dihydro-4H-isochromen-4-yl]-2-aminopropanamide Basic Attributes

Molecular Weight：

365.20900

Exact Mass：

364.0592771

Characteristics

PSA：

125.37000

XLogP3：

1.83720

Density：

1.51g/cm3

Boiling Point：

641.6ºC

Flash Point：

341.8ºC

Refractive Index：

1.614

Vapor Pressure：

3.65E-19mmHg at 25°C

Computed Properties

Molecular Weight:365.2
XLogP3:0.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:364.0592771
Monoisotopic Mass:364.0592771
Topological Polar Surface Area:122
Heavy Atom Count:23
Complexity:592
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: xanthine; menadione; mg phosphate; 2-methyl-2-butene; phosphorus pentachloride formula; potassium iodate

Guide of N-[(3S,4S,4aS,5R)-3-(dichloromethyl)-5,8-dihydroxy-3-methyl-1-oxo-4a,5-dihydro-4H-isochromen-4-yl]-2-aminopropanamide

Basic Attributes
Characteristics
Computed Properties

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