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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 7789-80-2, Lautarite, Calcium diiodate, Calcium;diiodate, L8mn4y57br, Autarite

Molecular Formula

CaI₂O₆

Molecular Weight

389.88 g/mol

InChI Key

UHWJJLGTKIWIJO-UHFFFAOYSA-L

FDA UNII

L8MN4Y57BR

1 2D Structure

Calcium Iodate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

calcium;diiodate

2.1.2 InChI

InChI=1S/Ca.2HIO3/c;2*2-1(3)4/h;2*(H,2,3,4)/q+2;;/p-2

2.1.3 InChI Key

UHWJJLGTKIWIJO-UHFFFAOYSA-L

2.1.4 Canonical SMILES

[O-]I(=O)=O.[O-]I(=O)=O.[Ca+2]

2.2 Other Identifiers

2.2.1 UNII

L8MN4Y57BR

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 7789-80-2

2. Lautarite

3. Calcium Diiodate

4. Calcium;diiodate

5. L8mn4y57br

6. Autarite

7. Iodic Acid, Calcium Salt

8. Unii-l8mn4y57br

9. Calcium Iodate (ca(io3)2)

10. Hsdb 986

11. Iodic Acid (hio3), Calcium Salt

12. Einecs 232-191-3

13. Mfcd00036265

14. Iodic Acid Calcium Salt

15. Ec 232-191-3

16. Calcium Iodate [mi]

17. Calcium Iodate [fcc]

18. Calcium Iodate [hsdb]

19. Calcium Iodate [vandf]

20. Dtxsid40960972

21. Akos015853993

22. Q2185998

23. 40563-56-2

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	CaI₂O₆
Molecular Weight	389.88 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	389.74102 g/mol
Monoisotopic Mass	389.74102 g/mol
Topological Polar Surface Area	114 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	36.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3