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Ferric Carboxymaltose (Technical Grade)

CAT: 0572-TRC-F307530-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-F307530-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
53858-86-9
Synonyms
Ferric Hydroxide Polymaltose Complex; Ferrummate
Hazard Statement
Harmful if swallowed
Smiles
[OH-].[OH-].[OH-].[Fe+3].OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O)[C@@H]1O
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Ferric hydroxide polymaltose complex
CAS Number53858-86-9
PubChem CID76960246
IUPAC Nameiron(3+);(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal;trihydroxide
Molecular FormulaC12H25FeO14
Molecular Weight449.16
Topological Polar Surface Area200
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity367
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O)O)O)O.[OH-].[OH-].[OH-].[Fe+3]
InChI
InChI=1S/C12H22O11.Fe.3H2O/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12;;;;/h1,4-12,14-21H,2-3H2;;3*1H2/q;+3;;;/p-3/t4-,5+,6+,7+,8+,9+,10-,11+,12-;;;;/m0..../s1
InChIKey
PKMVWNYIYVZXIQ-MPAYLTKRSA-K
Chemical Structure
2D Structure
2D structure of Ferric hydroxide polymaltose complex
CAS: 53858-86-9
CID: 76960246
Formula: C12H25FeO14
MW: 449.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.16
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass449.059366
Monoisotopic Mass449.059366
Topological Polar Surface Area200 Ų
Heavy Atom Count27
Formal Charge0
Complexity367
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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