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Aliphatics

Calcium (-)-hydroxycitrate

羟基柠檬酸钙

PHY-NP-12394 · Natural product research catalog

Catalog numberPHY-NP-12394
CAS number921226-01-9
Molecular formulaC12H10Ca3O16
Molecular weight530.43 g/mol
Chemical classAliphatics
Main reported sourceEria elata
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Calcium (-)-hydroxycitrate

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Product information

Calcium (-)-hydroxycitrate is listed in the Aliphatics section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC nametricalcium bis((1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylate)
SMILESC(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]
InChIKeyRVEPHTVUPANNSH-IFDHGPESSA-H
Subclass / scaffoldFatty Acids and Conjugates:Hydroxy fatty acids
PubChem CID12001644

Computed properties

Exact mass (Da)529.8847Predicted LogP-2.2777
Predicted TPSA (Ų)152.36H-bond donors5
H-bond acceptors5Rotatable bonds5

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification
Ring count0
Aromatic rings0
Fraction Csp³0.5
Synthetic accessibility score3.4
QED score0.338
Lipinski rule violations0
NPClassifier pathwayFatty acids
NPClassifier superclassFatty Acids and Conjugates
NPClassifier classHydroxy fatty acids
Parent SMILESO=C(O)C[C@@](O)(C(=O)O)[C@H](O)C(=O)O
Parent formulaC6H8O8
Parent molecular weight208.122
Specified stereocenters2
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceEria elata

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references
LOTUS species records0
LOTUS reference records0
COCONUT occurrence recordsEria elata; Lagerstroemia subcostata; Linum corymbulosum; Marrubium velutinum; Nicotiana excelsior; Stachybotrys alternans
COCONUT organism records6
COCONUT identifierCNP0341234.2

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

Request applicable documentation and handling information before ordering or use.