Basic information
- Name:
Butanedioic acid,2,3-dihydroxy- (2R,3R)-, calcium salt (1:1)
- CAS No.:
3164-34-9
- Molecular Structure:
- Formula:
- C4H4CaO6
- Molecular Weight:
- 188.15
- Synonyms:
- Butanedioicacid, 2,3-dihydroxy- [R-(R*,R*)]-, calcium salt (1:1);Calcium tartrate(6CI,7CI);Tartaric acid, calcium salt (1:1) (8CI);Calcium L-(+)-tartrate(1:1);Calcium L-tartrate;Calcium d-tartrate;Calcium tartrate (1:1);
- EINECS:
- 221-621-5
- Appearance:
- white powder
- Safety Description:
- 22-24/25 Details
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Specification
The CAS register number of Butanedioic acid,2,3-dihydroxy- (2R,3R)-, calcium salt (1:1) is 3164-34-9. It also can be called as Calcium tartarate and the IUPAC name about this chemical is calcium (2R,3R)-2,3-dihydroxybutanedioic acid. The molecular formula about this chemical is C4H4CaO6 and the molecular weight is 188.15. Classification code about this chemical is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. When you are using it, please do not breathe dust and avoid contact with skin and eyes. This chemical is a byproduct of the wine industry and it can be prepared from wine fermentation dregs. This chemical can be used as a food preservative and acidity regulator.
Physical properties about Butanedioic acid,2,3-dihydroxy- (2R,3R)-, calcium salt (1:1) are: (1)#H bond acceptors: 6; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 120.72Å2; (5)H-Bond Donor: 4; (6)H-Bond Acceptor: 6; (7)Rotatable Bond Count: 3; (8)Exact Mass: 189.979029; (9)MonoIsotopic Mass: 189.979029; (10)Topological Polar Surface Area: 115; (11)Heavy Atom Count: 11; (12)Formal Charge: 2; (13)Complexity: 134; (14)Defined Atom StereoCenter Count: 2; (15)Covalently-Bonded Unit Count: 2 .
You can still convert the following datas into molecular structure:
(1)SMILES: [Ca+2].O=C([O-])C(O)C(O)C([O-])=O
(2)InChI: InChI=1/C4H6O6.Ca/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+2/p-2
(3)InChIKey: GUPPESBEIQALOS-NUQVWONBAP
(4)Std. InChI: InChI=1S/C4H6O6.Ca/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+2/p-2
(5)Std. InChIKey: GUPPESBEIQALOS-UHFFFAOYSA-L