Cas no 305808-23-5 (b-Alanine,N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, calcium salt (2:1),monohydrate (9CI))
![b-Alanine,N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, calcium salt (2:1),monohydrate (9CI) structure](https://ossimg.kuujia.com/scimg/306000/305808-23-5x500.png)
305808-23-5 structure
Product Name:b-Alanine,N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, calcium salt (2:1),monohydrate (9CI)
CAS No:305808-23-5
MF:C9H19CaNO6
MW:277.32826256752
CID:299990
PubChem ID:88087364
Update Time:2025-04-19
b-Alanine,N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, calcium salt (2:1),monohydrate (9CI) Chemical and Physical Properties
Names and Identifiers
-
- b-Alanine,N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, calcium salt (2:1),monohydrate (9CI)
- (+)-Pantothenic acid calcium salt hydrate
- calcium bis(3-{[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino}propanoate) hydrate
- 305808-23-5
- SCHEMBL7084079
- (+)-PANTOTHENIC ACID CALCIUM SALT
-
- MDL： MFCD00149115
- Inchi： 1S/C9H17NO5.Ca.H2O/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;;/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);;1H2/t7-;;/m0../s1
- InChI Key： SYQWOQFFWAJNPD-KLXURFKVSA-N
- SMILES： [Ca].O[C@@H](C(NCCC(=O)O)=O)C(C)(C)CO.O
Computed Properties
- Exact Mass: 476.168
- Monoisotopic Mass: 476.168
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 32
- Rotatable Bond Count: 13
- Complexity: 233
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 219A^2
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: nothing
Experimental Properties
- Color/Form: solid
- Melting Point: 138?°C (dec.)(lit.)
- Boiling Point: 551.5 °C at 760 mmHg
- Flash Point: 287.3 °C
- PSA: 219.38000
- LogP: -3.97420
- Solubility: Not determined
b-Alanine,N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, calcium salt (2:1),monohydrate (9CI) Security Information
- Storage Condition：2-8°C
b-Alanine,N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-, calcium salt (2:1),monohydrate (9CI) Related Literature
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