 Home > Encyclopedia > 3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;diethyl-[2-[3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]propanoyloxy]ethyl]azanium

3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;diethyl-[2-[3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]propanoyloxy]ethyl]azanium

3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;diethyl-[2-[3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]propanoyloxy]ethyl]azanium structure

CAS No:
15499-10-2
Formula:
C22H32N2O10
Chemical Name:
3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;diethyl-[2-[3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]propanoyloxy]ethyl]azanium
Synonyms:
beta-Alanine, N-(7-oxo-1,3,5-cycloheptatrien-1-yl)-, 2-(diethylamino)ethyl ester, citrate (1:1);15499-10-2;N-(7-Oxo-1,3,5-cycloheptatrien-1-yl)-beta-alanine 2-(diethylamino)ethyl ester citrate;DTXSID70165771

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3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;diethyl-[2-[3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]propanoyloxy]ethyl]azanium Basic Attributes

Molecular Weight：

484.5 g/mol

Exact Mass：

484.20569522 g/mol

DSSTox ID：

DTXSID70165771

Characteristics

PSA：

195 Å²

Computed Properties

Molecular Weight:484.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:14
Exact Mass:484.20569522
Monoisotopic Mass:484.20569522
Topological Polar Surface Area:195
Heavy Atom Count:34
Complexity:659
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-[3-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]propanoyloxy]ethyl]azanium

Basic Attributes
Characteristics
Computed Properties

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