Basic information
- CAS
22830-45-1- Standard SMILES
O.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Fe+2]- InChIKey
BJBSKTPEFSQVHL-XRDLMGPZSA-L- Molecular formula
- C12H24FeO15
- Average molar mass
- 464.15 g/mol
- Monoisotopic mass
- 464.046456
Names & identifiers
- Preferred name
- Iron(II) gluconate hydrate
- IUPAC
- iron(2+);bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate);hydrate
- English name
- FERROUS GLUCONATE DIHYDRATE
- Molecular formula
- C6H14FeO8
- Molecular weight
- 270.02
Names & synonyms
Iron(II) gluconate hydrateRefChem:791418858-585-022830-45-1Iron(II) D-gluconate dihydrateiron(2+);(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;hydrateMFCD00150872Iron(II) D-gluconate dihydrate, 98%Iron(II)gluconatehydrateIron D-gluconate dihydrateSCHEMBL473633C12H24FeO15
Show more names
IRON (II) GLUCONATED-gluconate dihydrateIron(II) Gluconate Iron D-gluconate dihydrateFERROUS GLUCONATE DIHYDRATEgluconic acid iron(ii) saltIron(II)GluconateHydrate>IRON(II) GLUCONATE DIHYDRATEIron(II)gluconatehydrate,97%
BJBSKTPEFSQVHL-XRDLMGPZSA-LMFCD23103441PD057339SY069008F554948ferrous;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;hydrate
Database identifiers
- CAS
22830-45-1、699014-53-4
Properties
Computed structural properties
- Topological polar surface area
- 284 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 188 °C · 188 °C (dec.)(lit.)
- Density
- 1.14 · 1.14
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Granular
- color
- White to Amber to Dark green
- optical activity
- 25 · [α]25/D +6.7°, c = 1 in H2O
- Water Solubility
- Soluble in water. Insoluble in ethanol.
- Merck
- 14 · 14,4047
- Exposure limits
- 1 mg/m3NIOSH: · ACGIH: TWA 1 mg/m3NIOSH: TWA 1 mg/m3
- InChI
- 1S/2C6H12O7.Fe.2H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;/h2*2-5,7-11H,1H2,(H,12,13);;2*1H2/q;;+2;;/p-2/t2*2-,3-,4+,5-;;;/m11.../s1
- InChIKey
- OKGNXSFAYMSVNN-SYAJEJNSSA-L
- SMILES
- O.O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O[Fe]OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
- LogP
- -3.175 · -3.175 (est)
- CAS DataBase Reference
- 22830 · 22830-45-1(CAS DataBase Reference)
- FDA UNII
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory InformationD-Gluconic acid, iron(2+) salt, dihydrate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 2
- tsca
- Yes
- rtecs
- LZ5180000
- hs_code
- 29181600
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
UsesA glucose derivative. Also used as food additive
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…