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2D Structure
Also known as: 79173-09-4, (3r,4s,5s,6r)-2-[(2r,3s,4r,5r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6s)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;iron;trihydrate
Molecular Formula
C18H38FeO19
Molecular Weight
614.3  g/mol
InChI Key
JICBXNUMUPJKLZ-KDXXRCKWSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;iron;trihydrate
2.1.2 InChI
InChI=1S/C18H32O16.Fe.3H2O/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24;;;;/h4-29H,1-3H2;;3*1H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16+,17?,18?;;;;/m1..../s1
2.1.3 InChI Key
JICBXNUMUPJKLZ-KDXXRCKWSA-N
2.1.4 Canonical SMILES
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O.O.O.O.[Fe]
2.1.5 Isomeric SMILES
C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O.O.O.O.[Fe]
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Ferric Hydroxide-polymaltose

2. Ferric Polymaltose

3. Ferripolyisomaltose

4. Ferrum Hausmann

5. Intrafer

6. Iron Hydroxide Polymaltose

7. Iron Polymaltose

8. Iron(iii)-hydroxide-dextrin

9. Iron-polymaltose Complex

10. Teferrol

2.2.2 Depositor-Supplied Synonyms

1. 79173-09-4

2. (3r,4s,5s,6r)-2-[(2r,3s,4r,5r)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2r,3s,4r,5r,6s)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;iron;trihydrate

2.3 Create Date
2017-11-19
3 Chemical and Physical Properties
Molecular Weight 614.3 g/mol
Molecular Formula C18H38FeO19
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count19
Rotatable Bond Count7
Exact Mass614.135665 g/mol
Monoisotopic Mass614.135665 g/mol
Topological Polar Surface Area272 Ų
Heavy Atom Count38
Formal Charge0
Complexity644
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count5
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Hematinics

Agents which improve the quality of the blood, increasing the hemoglobin level and the number of erythrocytes. They are used in the treatment of anemias. (See all compounds classified as Hematinics.)