 Home > Encyclopedia > 3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate,diethyl-[2-[2-[(2S,3R)-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl]oxyethoxy]ethyl]azanium

3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate,diethyl-[2-[2-[(2S,3R)-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl]oxyethoxy]ethyl]azanium

3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate,diethyl-[2-[2-[(2S,3R)-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl]oxyethoxy]ethyl]azanium structure

CAS No:
100447-55-0
Formula:
C29H37NO12
Chemical Name:
3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate,diethyl-[2-[2-[(2S,3R)-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl]oxyethoxy]ethyl]azanium

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3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate,diethyl-[2-[2-[(2S,3R)-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl]oxyethoxy]ethyl]azanium Basic Attributes

Molecular Weight：

591.60400

Exact Mass：

591.23157562 g/mol

DSSTox ID：

DTXSID10143290

Characteristics

PSA：

193.39000

XLogP3：

-0.67350

Boiling Point：

523.2ºC at 760mmHg

Flash Point：

270.2ºC

Vapor Pressure：

4.84E-11mmHg at 25°C

Computed Properties

Molecular Weight:591.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:15
Exact Mass:591.23157562
Monoisotopic Mass:591.23157562
Topological Polar Surface Area:193
Heavy Atom Count:42
Complexity:702
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate,diethyl-[2-[2-[(2S,3R)-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl]oxyethoxy]ethyl]azanium

Basic Attributes
Characteristics
Computed Properties

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