Calcium(2+);Hexaaquacalcium ion
- CAS No.: 17787-72-3
- Molecular Weight：142.12
- Modify Date.: 2023-11-04 05:59
- Introduction:
Calcium(2+);Hexaaquacalcium ion, with the chemical formula Ca(H2O)6^2+, is a compound known for its role in various biological and chemical processes. This compound, also referred to as hexaaquacalcium ion, is characterized by its calcium cation and six water molecules coordinated around it. It is commonly found in aqueous solutions and is essential for the functioning of many biological systems, including muscle contraction, nerve transmission, and bone formation. In addition, hexaaquacalcium ion has applications in various industrial processes, such as water treatment and the production of ceramics. The CAS registry number for this compound is 17787-72-3.
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1. Names and Identifiers
- 1.1 Name
- Calcium(2+);Hexaaquacalcium ion
- 1.2 Synonyms
10043-52-4 (Dichloride salt) 139468-93-2(2Cl-) 14127-61-8 (Calcium, ion [ca2+]) Aids003239 Aids-003239 Calcium(2+) CALCIUM(2+), HEXAAQUA-, (OC-6-11)- hexaaqua calcium(II) Hexaaquacalcium ion
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- 1.3 CAS No.
- 17787-72-3
- 1.4 CID
- 3266557
- 1.5 Molecular Formula
- CaH6O6+2 (isomer)
- 1.6 Inchi
- InChI=1S/Ca.6H2O/h;6*1H2/q+8;;;;;;/p-6
- 1.7 InChIkey
- JGFFWVAQSZBMGE-UHFFFAOYSA-H
- 1.8 Canonical Smiles
- O[Ca++](O)(O)(O)(O)O
- 1.9 Isomers Smiles
- [OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Ca+2]
2. Properties
- 2.1 Precise Quality
- 141.9790288
- 2.1 PSA
- 0.00000
- 2.1 logP
- -0.71280
3. Safety and Handling
- 3.1 Specification
-
Calcium(2+) (CAS NO.17787-72-3) is also named as Ca++ ; Calcium ion .
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
5. Computational chemical data
- Molecular Weight: 142.12g/mol
- Molecular Formula: CaH6O6+2
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 141.9790288
- Monoisotopic Mass: 141.9790288
- Complexity: 4.1
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 6
- Topological Polar Surface Area: 6
- Heavy Atom Count: 7
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 7
- CACTVS Substructure Key Fingerprint: AAADcYAAOAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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7. Realated Product Infomation
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