ALLANTOINCALCIUMPANTOTHENATE
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ALLANTOINCALCIUMPANTOTHENATE
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CAS No:
4207-41-4
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Formula:
C22H38CaN6O13
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Chemical Name:
ALLANTOINCALCIUMPANTOTHENATE
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Synonyms:
Allantoin calcium pantothenate;UNII-SM1342S52N;SM1342S52N;Urea, (2,5-dioxo-4-imidazolidinyl)-, compd. with (R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine calcium salt (1:2:1);DTXSID80194911;Allantoin, di-D-pantothenate, calcium salt (1:1);Q27289273;Pantothenic acid, d-, calcium salt (2:1), compd. with allantoin (1:1);beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1), (R)-, compd. with (2,5-dioxo-4-imidazolidinyl)urea (1:1)
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CAS No:
Computed Properties
Molecular Weight:417.43
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:417.1172536
Monoisotopic Mass:417.1172536
Topological Polar Surface Area:220
Heavy Atom Count:27
Formal Charge:2
Complexity:464
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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