 Home > Encyclopedia > 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, diphenylmethyl ester, 4-oxide, (2S,5R,6R)-

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, diphenylmethyl ester, 4-oxide, (2S,5R,6R)-

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, diphenylmethyl ester, 4-oxide, (2S,5R,6R)- structure

CAS No:
10209-09-3
Formula:
C29H28N2O6S
Chemical Name:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, diphenylmethyl ester, 4-oxide, (2S,5R,6R)-
Synonyms:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-,diphenylmethyl ester,4-oxide,(2S,5R,6R)-;Penicillin V,diphenylmethyl ester,S-oxide;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-,diphenylmethyl ester,4-oxide;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-,diphenylmethyl ester,4-oxide,[2S-(2α,5α,6β)]-;Benzhydrol,3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide

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4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, diphenylmethyl ester, 4-oxide, (2S,5R,6R)- Basic Attributes

Molecular Weight：

532.60742

Exact Mass：

532.61

EC Number：

233-509-3

DSSTox ID：

DTXSID00191028

Characteristics

PSA：

121

XLogP3：

3.2

Density：

1.4g/cm3

Melting Point：

155-156 °C

Boiling Point：

803.5ºC at 760mmHg

Flash Point：

439.8ºC

Refractive Index：

1.677

Vapor Pressure：

7.57E-26mmHg at 25°C

Safety Information

Precautionary statement(s)：

P261, P272, P280, P285, P302+P352, P304+P341, P321, P333+P313, P342+P311, P363, P501

Hazard Statements：

H317

GHS Classification：

|Danger|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P285, P302+P352, P304+P341, P321, P333+P313, P342+P311, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:532.6
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:532.16680779
Monoisotopic Mass:532.16680779
Topological Polar Surface Area:121
Heavy Atom Count:38
Complexity:889
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, diphenylmethyl ester, 4-oxide, (2S,5R,6R)-

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-, diphenylmethyl ester, 4-oxide, (2S,5R,6R)-

SDS

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