1. Primary Information
| English name: | Calcium Pantothenate |
| CAS No.: | 137-08-6 |
| Molecular formula: | C18H32CAN2O10 |
| Molecular weight: | 476.5 g/mol |
| SMILES: | CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.[Ca+2] |
| Structural class: | |
| Other identifiers: |
B 5, Vitamin B5, Vitamin Calcium Pantothenate Dexol Pantothenate, Calcium |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Purchase | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 20mg | HPLC≥99% | 96 | Buy now | 2-8℃ | in stock | - |
| Kehua Intelligence | 100mg | HPLC≥99% | 360 | Buy now | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | BR，99% | 48 | Buy now | 2-8℃ | in stock | - |
| Kehua Intelligence | 100g | BR，99% | 72 | Buy now | 2-8℃ | in stock | - |
| Kehua Intelligence | 500g | BR，99% | 352 | Buy now | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
calcium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate
4.2 InChI
InChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2/t2*7-;/m00./s1
4.3 InChIKey
FAPWYRCQGJNNSJ-UBKPKTQASA-L
4.4 Canonical SMILES
CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.[Ca+2]
4.5 Isomeric SMILES
CC(C)(CO)[C@H](C(=O)NCCC(=O)[O-])O.CC(C)(CO)[C@H](C(=O)NCCC(=O)[O-])O.[Ca+2]
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
