β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt, hydrate (2:1:1)
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β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt, hydrate (2:1:1)
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CAS No:
63409-48-3
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Formula:
C9H17NO5.1/2Ca.1/2H2O
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Chemical Name:
β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt, hydrate (2:1:1)
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Synonyms:
β-Alanine,N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-,calcium salt,hydrate (2:1:1);β-Alanine,N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-,calcium salt (2:1),monohydrate,(±)-;β-Alanine,N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-,calcium salt (2:1),monohydrate
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CAS No:
β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt, hydrate (2:1:1) Basic Attributes
476.53
476.168274
613-213-4
2936240000
Characteristics
191.72000
-1.45900
White powder, slightly hygroscopic
138 °C (dec.)(lit.)
551.5ºC at 760 mmHg
287.3ºC
2-8°C
β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt, hydrate (2:1:1) Use and Manufacturing
Natural products are obtained by hydrolysis and purification of yeast. It is synthesized from β-aminopropionic acid and dihydroxydimethylbutyric acid.
vitamin B5
Computed Properties
Molecular Weight:476.5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:14
Exact Mass:476.1682861
Monoisotopic Mass:476.1682861
Topological Polar Surface Area:219
Heavy Atom Count:31
Complexity:534
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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