2-[2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid;iron

C18H28FeO17 — CID 67285610

About 2-[2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid;iron

2-[2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid;iron (PubChem CID 67285610) has the molecular formula C18H28FeO17 and a molecular weight of 572.25 g/mol. Its IUPAC name is 2-[2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid;iron.

Molecular Properties

• Compound Name: 2-[2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid;iron
• PubChem CID: 67285610
• Molecular Formula: C18H28FeO17
• Molecular Weight: 572.25 g/mol
• Exact Mass: 572.07
• IUPAC Name: 2-[2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid;iron
• SMILES: O=C(O)CC(O)(CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)O.[Fe]
• InChI: InChI=1S/C18H28O17.Fe/c19-3-6-11(25)14(28)18(5-20,34-6)35-15-13(27)12(26)10(24)7(33-15)4-32-9(23)2-17(31,16(29)30)1-8(21)22;/h6-7,10-15,19-20,24-28,31H,1-5H2,(H,21,22)(H,29,30);/t6-,7-,10-,11-,12+,13-,14+,15-,17?,18+;/m1./s1
• InChIKey: SRIWSAYBXFRUGL-ZIGXKJKGSA-N
• XLogP: -6.17
• TPSA: 290.43 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	572.25
LogP ≤ 5	-6.17
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid;iron?

The IUPAC name of 2-[2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid;iron (CID 67285610) is 2-[2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid;iron.

What is the SMILES notation for 2-[2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid;iron?

The canonical SMILES for 2-[2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid;iron is O=C(O)CC(O)(CC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)O.[Fe].

What is the InChIKey of 2-[2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid;iron?

The InChIKey is SRIWSAYBXFRUGL-ZIGXKJKGSA-N. The full InChI is InChI=1S/C18H28O17.Fe/c19-3-6-11(25)14(28)18(5-20,34-6)35-15-13(27)12(26)10(24)7(33-15)4-32-9(23)2-17(31,16(29)30)1-8(21)22;/h6-7,10-15,19-20,24-28,31H,1-5H2,(H,21,22)(H,29,30);/t6-,7-,10-,11-,12+,13-,14+,15-,17?,18+;/m1./s1.

What are the key properties of 2-[2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid;iron?

2-[2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid;iron has a molecular weight of 572.25 g/mol, XLogP of -6.17, 11 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-2-oxoethyl]-2-hydroxybutanedioic acid;iron is sourced from PubChem (CID 67285610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).