Calcium L-threonate

Catalog Number	ACM70753616-1
CAS	70753-61-6
Structure
Synonyms	L-Threonic acid calcium salt
IUPAC Name	calcium;(2R,3S)-2,3,4-trihydroxybutanoate
Molecular Weight	310.27
Molecular Formula	C8H14CaO10
Canonical SMILES	C(C(C(C(=O)[O-])O)O)O.C(C(C(C(=O)[O-])O)O)O.[Ca+2]
InChI	InChI=1S/2C4H8O5.Ca/c2*5-1-2(6)3(7)4(8)9;/h2*2-3,5-7H,1H2,(H,8,9);/q;+2/p-2/t2*2-,3+;/m00./s1
InChI Key	ZJXGOFZGZFVRHK-BALCVSAKSA-L
Boiling Point	518.9ºC at 760 mmHg
Melting Point	>300 °C
Flash Point	281.7ºC
Purity	99%
Appearance	Powder
EC Number	615-158-1
Exact Mass	310.0212875
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	6
Isomeric SMILES	C([C@@H]([C@H](C(=O)[O-])O)O)O.C([C@@H]([C@H](C(=O)[O-])O)O)O.[Ca+2]
Monoisotopic Mass	310.0212875
Rotatable Bond Count	4
Topological Polar Surface Area	202 Ų

Q&A

What is the molecular formula of Calcium L-threonate?

The molecular formula of Calcium L-threonate is C8H14CaO10.

What are the synonyms of Calcium L-threonate?

The synonyms of Calcium L-threonate include Calcium L-Threonate, L-Threonic acid calcium salt, Calcium (2R,3S)-2,3,4-trihydroxybutanoate, Calcium threonate, Threonine, calcium salt, and more.

What is the role of Calcium L-threonate in the mineralization process?

Calcium L-threonate is hypothesized to play a role in the mineralization process through its positive action on vitamin C.

What is the IUPAC name of Calcium L-threonate?

The IUPAC name of Calcium L-threonate is calcium;(2R,3S)-2,3,4-trihydroxybutanoate.

What is the InChI of Calcium L-threonate?

The InChI of Calcium L-threonate is InChI=1S/2C4H8O5.Ca/c2*5-1-2(6)3(7)4(8)9;/h2*2-3,5-7H,1H2,(H,8,9);/q;;+2/p-2/t2*2-,3+;/m00./s1.

What is the InChIKey of Calcium L-threonate?

The InChIKey of Calcium L-threonate is ZJXGOFZGZFVRHK-BALCVSAKSA-L.

What is the Canonical SMILES of Calcium L-threonate?

The Canonical SMILES of Calcium L-threonate is C(C(C(C(=O)[O-])O)O)O.C(C(C(C(=O)[O-])O)O)O.[Ca+2].

What is the CAS number of Calcium L-threonate?

The CAS number of Calcium L-threonate is 70753-61-6.

What is the molecular weight of Calcium L-threonate?

The molecular weight of Calcium L-threonate is 310.27g/mol.

How many hydrogen bond acceptor counts does Calcium L-threonate have?

Calcium L-threonate has 10 hydrogen bond acceptor counts.