Calcium ascorbate dihydrateProduct ingredient for Calcium ascorbate
- Name
- Calcium ascorbate dihydrate
- Drug Entry
- Calcium ascorbate
- Accession Number
- DBSALT002770
- Structure
Structure for Calcium ascorbate dihydrate (DBSALT002770)
- Synonyms
- Calcium L-ascorbate dihydrate / Ester-C / L-ascorbic acid, calcium salt (2:1), dihydrate / Vitamin C (as calcium ascorbate)
- External IDs
- E-302 / E302 / Ins no.302 / Ins-302
- UNII
- 183E4W213W
- CAS Number
- 5743-28-2
- Weight
- Average: 426.34
Monoisotopic: 426.0322462 - Chemical Formula
- C12H18CaO14
- InChI Key
- RGJHWLDSRIHFKY-FWCDDDAWSA-L
- InChI
- InChI=1S/2C6H8O6.Ca.2H2O/c2*7-1-2(8)5-3(9)4(10)6(11)12-5;;;/h2*2,5,7-10H,1H2;;2*1H2/q;;+2;;/p-2/t2*2-,5+;;;/m00.../s1
- IUPAC Name
- calcium bis((2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydrofuran-3-olate) dihydrate
- SMILES
- O.O.[Ca++].OC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-].OC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-]
- External Links
- ChemSpider
- 17339240
- ChEMBL
- CHEMBL3184533
- Predicted Properties
Property Value Source Water Solubility 16.0 mg/mL ALOGPS logP -1.6 ALOGPS logP -1.9 Chemaxon logS -1.4 ALOGPS pKa (Strongest Acidic) 4.16 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 110.05 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 47.58 m3·mol-1 Chemaxon Polarizability 14.48 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon