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2-Azabicyclo[2.2.2]octane-5-butanoic acid, 5-hydroxy-β,2-dimethyl-, [1R-[1α,4α,5α,5(S*)]]-

2-Azabicyclo[2.2.2]octane-5-butanoic acid, 5-hydroxy-β,2-dimethyl-, [1R-[1α,4α,5α,5(S*)]]- structure

CAS No:
128637-87-6
Formula:
C13H23NO3
Chemical Name:
2-Azabicyclo[2.2.2]octane-5-butanoic acid, 5-hydroxy-β,2-dimethyl-, [1R-[1α,4α,5α,5(S*)]]-
Synonyms:
2-Azabicyclo[2.2.2]octane-5-butanoic acid,5-hydroxy-β,2-dimethyl-,[1R-[1α,4α,5α,5(S*)]]-;Dioscoretine;Dioscoretin

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2-Azabicyclo[2.2.2]octane-5-butanoic acid, 5-hydroxy-β,2-dimethyl-, [1R-[1α,4α,5α,5(S*)]]- Basic Attributes

Molecular Weight：

241.329

Exact Mass：

241.33

Characteristics

PSA：

60.8

XLogP3：

-1.2

Density：

1.14g/cm3

Boiling Point：

409.2ºC at 760mmHg

Flash Point：

201.3ºC

Refractive Index：

1.525

Vapor Pressure：

2.11E-08mmHg at 25°C

Drug Information

MeSH Entry Terms：

dioscoretine

Computed Properties

Molecular Weight:241.33
XLogP3:-1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:241.16779360
Monoisotopic Mass:241.16779360
Topological Polar Surface Area:60.8
Heavy Atom Count:17
Complexity:307
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 2-Azabicyclo[2.2.2]octane-5-butanoic acid, 5-hydroxy-β,2-dimethyl-, [1R-[1α,4α,5α,5(S*)]]-

Basic Attributes
Characteristics
Drug Information
Computed Properties

2-Azabicyclo[2.2.2]octane-5-butanoic acid, 5-hydroxy-β,2-dimethyl-, [1R-[1α,4α,5α,5(S*)]]-

SDS

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