 Home > Encyclopedia > (6R-trans)-7-(BenzoylaMino)-3-Methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicAcidDiphenylMethylEster

(6R-trans)-7-(BenzoylaMino)-3-Methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicAcidDiphenylMethylEster

(6R-trans)-7-(BenzoylaMino)-3-Methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicAcidDiphenylMethylEster structure

CAS No:
81370-17-4
Formula:
C28H24N2O5
Chemical Name:
(6R-trans)-7-(BenzoylaMino)-3-Methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicAcidDiphenylMethylEster
Synonyms:
(6R-trans)-7-(BenzoylaMino)-3-Methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid DiphenylMethyl Ester;7-benzoylamino-3-methyl-8-oxo-5-oxa-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester;5-Oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-(benzoylamino)-3-methyl-8-oxo-, diphenylmethyl ester, (6R-trans)- (9CI)

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(6R-trans)-7-(BenzoylaMino)-3-Methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicAcidDiphenylMethylEster Basic Attributes

Molecular Weight：

468.5

Exact Mass：

468.16852187

Characteristics

PSA：

84.94000

XLogP3：

3.91910

Density：

1.35±0.1 g/cm3

Boiling Point：

725.8±60.0 °C(Predicted)

PKA：

12.19±0.60

(6R-trans)-7-(BenzoylaMino)-3-Methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicAcidDiphenylMethylEster Use and Manufacturing

(6R-trans)-7-(Benzoylamino)-3-methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid Diphenylmethyl Ester is an intermediate in the synthesis of oxacephem derived beta-lactam antibiotic that is particularly effective against gram-positive bacteria.

Computed Properties

Molecular Weight:468.5
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:468.16852187
Monoisotopic Mass:468.16852187
Topological Polar Surface Area:84.9
Heavy Atom Count:35
Complexity:818
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (6R-trans)-7-(BenzoylaMino)-3-Methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicAcidDiphenylMethylEster

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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