calcium(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoate

calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoate

CAS: 97635-31-9

Molecular Formula	`C18H32CaO19`
Molecular Weight	592.5 g/mol
Topological Polar Surface Area	362.0 A2
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	19
Rotatable Bonds	15
Exact Mass	592.1164
Heavy Atoms	38
Complexity	686.0

Chemical Identifiers

CAS Number	97635-31-9
SMILES	`C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)[O-])O)O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Ca+2]`
InChIKey	`YPCRNBPOUVJVMU-LCGAVOCYSA-L`

📖 Product Overview

calcium(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoate (CAS: 97635-31-9) is a chemical compound with molecular formula C18H32CaO19 and molecular weight 592.5 g/mol. Its IUPAC systematic name is calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoate. Topological Polar Surface Area 362.0 A2 Hydrogen Bond Donors 13 Hydrogen Bond Acceptors 19 Rotatable Bonds 15 Exact Mass 592.1164 Heavy Atoms 38 Complexity 686.0 InChI Key: YPCRNBPOUVJVMU-LCGAVOCYSA-L. SMILES: C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)[O-])O)O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Ca+2].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for calcium(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoate.

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