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3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate,diethyl-[2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethylsulfanyl]ethyl]azanium

3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate,diethyl-[2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethylsulfanyl]ethyl]azanium structure

CAS No:
100310-91-6
Formula:
C22H33NO9S
Chemical Name:
3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate,diethyl-[2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethylsulfanyl]ethyl]azanium

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3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate,diethyl-[2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethylsulfanyl]ethyl]azanium Basic Attributes

Molecular Weight：

487.56400

Exact Mass：

487.18760280 g/mol

DSSTox ID：

DTXSID50143138

Characteristics

PSA：

179.13000

XLogP3：

2.24810

Boiling Point：

380.3ºC at 760 mmHg

Flash Point：

183.8ºC

Vapor Pressure：

5.49E-06mmHg at 25°C

Computed Properties

Molecular Weight:487.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:12
Exact Mass:487.18760280
Monoisotopic Mass:487.18760280
Topological Polar Surface Area:183
Heavy Atom Count:33
Complexity:494
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-(2-methyl-1,3-benzodioxol-2-yl)ethylsulfanyl]ethyl]azanium

Basic Attributes
Characteristics
Computed Properties

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