2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethanamine;cyclopenta-1,3-diene;(2R,3R)-2,3-dihydroxybutanedioic acid;iron(2+)

C34H42FeNO8P — CID 175711603

About 2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethanamine;cyclopenta-1,3-diene;(2R,3R)-2,3-dihydroxybutanedioic acid;iron(2+)

2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethanamine;cyclopenta-1,3-diene;(2R,3R)-2,3-dihydroxybutanedioic acid;iron(2+) (PubChem CID 175711603) has the molecular formula C34H42FeNO8P and a molecular weight of 679.53 g/mol. Its IUPAC name is 2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethanamine;cyclopenta-1,3-diene;(2R,3R)-2,3-dihydroxybutanedioic acid;iron(2+).

Molecular Properties

• Compound Name: 2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethanamine;cyclopenta-1,3-diene;(2R,3R)-2,3-dihydroxybutanedioic acid;iron(2+)
• PubChem CID: 175711603
• Molecular Formula: C34H42FeNO8P
• Molecular Weight: 679.53 g/mol
• Exact Mass: 679.20
• IUPAC Name: 2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethanamine;cyclopenta-1,3-diene;(2R,3R)-2,3-dihydroxybutanedioic acid;iron(2+)
• SMILES: COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2ccc[c-]2CCN)cc1C.O=C(O)[C@H](O)[C@@H](O)C(=O)O.[Fe+2].c1cc[cH-]c1
• InChI: InChI=1S/C25H31NO2P.C5H5.C4H6O6.Fe/c1-16-12-21(13-17(2)24(16)27-5)29(23-9-7-8-20(23)10-11-26)22-14-18(3)25(28-6)19(4)15-22;1-2-4-5-3-1;5-1(3(7)8)2(6)4(9)10;/h7-9,12-15H,10-11,26H2,1-6H3;1-5H;1-2,5-6H,(H,7,8)(H,9,10);/q2*-1;;+2/t;;1-,2-;/m..1./s1
• InChIKey: PUOSWIGCKAMFGF-JUIVJLJXSA-N
• XLogP: 3.20
• TPSA: 159.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	679.53
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethanamine;cyclopenta-1,3-diene;(2R,3R)-2,3-dihydroxybutanedioic acid;iron(2+)?

The IUPAC name of 2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethanamine;cyclopenta-1,3-diene;(2R,3R)-2,3-dihydroxybutanedioic acid;iron(2+) (CID 175711603) is 2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethanamine;cyclopenta-1,3-diene;(2R,3R)-2,3-dihydroxybutanedioic acid;iron(2+).

What is the SMILES notation for 2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethanamine;cyclopenta-1,3-diene;(2R,3R)-2,3-dihydroxybutanedioic acid;iron(2+)?

The canonical SMILES for 2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethanamine;cyclopenta-1,3-diene;(2R,3R)-2,3-dihydroxybutanedioic acid;iron(2+) is COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)c2ccc[c-]2CCN)cc1C.O=C(O)[C@H](O)[C@@H](O)C(=O)O.[Fe+2].c1cc[cH-]c1.

What is the InChIKey of 2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethanamine;cyclopenta-1,3-diene;(2R,3R)-2,3-dihydroxybutanedioic acid;iron(2+)?

The InChIKey is PUOSWIGCKAMFGF-JUIVJLJXSA-N. The full InChI is InChI=1S/C25H31NO2P.C5H5.C4H6O6.Fe/c1-16-12-21(13-17(2)24(16)27-5)29(23-9-7-8-20(23)10-11-26)22-14-18(3)25(28-6)19(4)15-22;1-2-4-5-3-1;5-1(3(7)8)2(6)4(9)10;/h7-9,12-15H,10-11,26H2,1-6H3;1-5H;1-2,5-6H,(H,7,8)(H,9,10);/q2*-1;;+2/t;;1-,2-;/m..1./s1.

What are the key properties of 2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethanamine;cyclopenta-1,3-diene;(2R,3R)-2,3-dihydroxybutanedioic acid;iron(2+)?

2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethanamine;cyclopenta-1,3-diene;(2R,3R)-2,3-dihydroxybutanedioic acid;iron(2+) has a molecular weight of 679.53 g/mol, XLogP of 3.20, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopenta-2,4-dien-1-yl]ethanamine;cyclopenta-1,3-diene;(2R,3R)-2,3-dihydroxybutanedioic acid;iron(2+) is sourced from PubChem (CID 175711603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).