Calcium (-) -hydroxycitrate

CAT: 1596-AR-C01113-04Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C01113-04Size:25 Units

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CAS Number

921226-01-9

Synonyms

(1S,2S) -1,2-dihydroxypropane-1,2,3-tricarboxylic acid, calcium salt; 3-C-Carboxy-2-deoxy-D-erythropentaric Acid Calcium Salt (2:3)

Molecular Formula

2 C6H5O8. 3 Ca

Molecular Weight

2 205.10 3 40.08

API Name

Calcium (-) -hydroxycitrate

Chemical Information

Calcium (-)-hydroxycitrate

CAS Number	921226-01-9
PubChem CID	12001644
IUPAC Name	tricalcium bis((1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylate)
Molecular Formula	C12H10Ca3O16
Molecular Weight	530.4
Topological Polar Surface Area	322
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	4
Heavy Atom Count	31
Formal Charge	0
Complexity	254

SMILES

C(C(=O)[O-])[C@]([C@@H](C(=O)[O-])O)(C(=O)[O-])O.C(C(=O)[O-])[C@]([C@@H](C(=O)[O-])O)(C(=O)[O-])O.[Ca+2].[Ca+2].[Ca+2]

InChI

InChI=1S/2C6H8O8.3Ca/c2*7-2(8)1-6(14,5(12)13)3(9)4(10)11;;;/h2*3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13);;;/q;;3*+2/p-6/t2*3-,6+;;;/m11.../s1

InChIKey

RVEPHTVUPANNSH-IFDHGPESSA-H

Chemical Structure

2D Structure

CAS: 921226-01-9

CID: 12001644

Formula: C12H10Ca3O16

MW: 530.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	530.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	4
Exact Mass	529.8846568
Monoisotopic Mass	529.8846568
Topological Polar Surface Area	322 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	254
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	5
Compound Is Canonicalized	Yes

Catalog	Name
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AR-S09285-01	Sacubitril Calcium
AR-S02219-01	Calcium Stearate
AR-C01114-01	Calcium Lactogluconate
AR-G01426-01	Glubionate Calcium
AR-F02276-01	Folitixorin Calcium
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Catalog	Name
443780-01	Calcium (-) -Hydroxycitrate
TRC-C145600-1MG	Calcium (-)-Hydroxycitrate
T84865-01	(-) -Calcium hydroxycitrate tribasic
sc-506002	(−) -Calcium hydroxycitrate tribasic
TBW01146	Hydroxycitrate
T125263-01	Potassium Hydroxycitrate
MBS5790746	PotassiuM/hydroxycitrate
S5136-1g	Calcium folinate (Leucovorin calcium)
MA-0104	Calcium
A0197-01-01	Acamprosate-d6 Calcium (Calcium Acetylhomotaurinate-d6)