 Home > Encyclopedia > 2,2-dimethylpropanoyloxymethyl (2S,5R,6Z)-3,3-dimethyl-7-oxo-6-[(E)-4-oxobut-2-enylidene]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

2,2-dimethylpropanoyloxymethyl (2S,5R,6Z)-3,3-dimethyl-7-oxo-6-[(E)-4-oxobut-2-enylidene]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

2,2-dimethylpropanoyloxymethyl (2S,5R,6Z)-3,3-dimethyl-7-oxo-6-[(E)-4-oxobut-2-enylidene]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate structure

CAS No:
142449-95-4
Formula:
C18H23NO6S
Chemical Name:
2,2-dimethylpropanoyloxymethyl (2S,5R,6Z)-3,3-dimethyl-7-oxo-6-[(E)-4-oxobut-2-enylidene]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

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2,2-dimethylpropanoyloxymethyl (2S,5R,6Z)-3,3-dimethyl-7-oxo-6-[(E)-4-oxobut-2-enylidene]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Basic Attributes

Molecular Weight：

381.44300

Exact Mass：

381.12460863

Characteristics

PSA：

115.28000

XLogP3：

1.75810

Density：

1.28g/cm3

Boiling Point：

563.2ºC at 760mmHg

Flash Point：

294.4ºC

Refractive Index：

1.568

Vapor Pressure：

1.04E-12mmHg at 25°C

Drug Information

MeSH：

Endogenous substances and drugs that inhibit or block the activity of BETA-LACTAMASES. (See all compounds classified as beta-Lactamase Inhibitors.)

MeSH Entry Terms：

methylene-6-(3-formylallylidene)penicillanate pivalate

Computed Properties

Molecular Weight:381.4
XLogP3:2.2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:381.12460863
Monoisotopic Mass:381.12460863
Topological Polar Surface Area:115
Heavy Atom Count:26
Complexity:688
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,2-dimethylpropanoyloxymethyl (2S,5R,6Z)-3,3-dimethyl-7-oxo-6-[(E)-4-oxobut-2-enylidene]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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