17140-60-2

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17140-60-2 Structure

Identification	Back Directory
[Name] CALCIUM GLUCOHEPTONATE
[CAS] 17140-60-2
[Synonyms] Nsc42196 Calcium glueptate CALCIUM GLUCEPTATE calciumheptagluconate CALCIUM GLUCOHEPTONATE calciumglucoheptanoate CALCIUM GLUCEPTATE, USP Calcium glucoheptonoate Calcium glucoheptonate CRS calciumalpha-glucoheptonate CALCIUM-ALPHA-D-GLUCOHEPTONATE calcium α-d-heptagluconate hydrate Glucoheptonic acid, calcium salt (2:1) calciumd-glycero-d-gulo-heptonate(1:2) d-glycero-d-gulo-heptonicacid,calciumsalt d-glycero-d-gulo-heptonicacid,calciumsalt(2:1) Bis(D-glycero-D-gulo-heptonic acid)calcium salt Bis[D-glycero-D-gulo-heptonic acid]calcium salt Calcium alpha-D-heptagluconate hydrate >=98.0% (calc. based on dry substance) α-D-Glucoheptonic acid calcium salt, D-Glycero-D-glucoheptonic acid calcium salt, Calcium α-D-heptagluconate, Calcium glueptate
[EINECS(EC#)] 241-203-6
[Molecular Formula] C14H26CaO16
[MDL Number] MFCD00065923
[MOL File] 17140-60-2.mol
[Molecular Weight] 490.42

Chemical Properties	Back Directory
[storage temp. ] 2-8°C
[solubility ] ≥ 89.2mg/mL in Water, ≥ 4.90mg/mL in DMSO with gentle warming
[form ] neat
[color ] White to off-white
[Optical Rotation] [α]20/D +2±0.2°, c = 5% in H2O
[BRN ] 6104529
[InChI] 1S/2C7H14O8.Ca.2H2O/c28-1-2(9)3(10)4(11)5(12)6(13)7(14)15;;;/h22-6,8-13H,1H2,(H,14,15);;21H2/q;;+2;;/p-2/t22-,3-,4+,5-,6-;;;/m11.../s1
[InChIKey] JBMIEBJMNFOKBC-JRLDONDGSA-L
[SMILES] O.O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O[Ca]OC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
[EPA Substance Registry System] D-glycero-D-gulo-Heptonic acid, calcium salt (2:1) (17140-60-2)

Safety Data	Back Directory
[Safety Statements ] 22-24/25
[WGK Germany ] 3
[RTECS ] MA7980000
[TSCA ] TSCA listed
[Storage Class] 11 - Combustible Solids

Hazard Information	Back Directory
[Uses] Replenisher (calcium).
[storage] Store at -20°C
[Purification Methods] Purify it in the same way as for calcium D-gluconate. [Beilstein 3 III 1112.]

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