fermium;2-[[3-[2-(2-methoxyethoxy)ethoxy]-2-(oxomethylamino)propyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-1H-purin-9-yl]acetyl]amino]acetic acid

C23H34FmN7O10- — CID 167509135

About fermium;2-[[3-[2-(2-methoxyethoxy)ethoxy]-2-(oxomethylamino)propyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-1H-purin-9-yl]acetyl]amino]acetic acid

fermium;2-[[3-[2-(2-methoxyethoxy)ethoxy]-2-(oxomethylamino)propyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-1H-purin-9-yl]acetyl]amino]acetic acid (PubChem CID 167509135) has the molecular formula C23H34FmN7O10- and a molecular weight of 825.56 g/mol. Its IUPAC name is fermium;2-[[3-[2-(2-methoxyethoxy)ethoxy]-2-(oxomethylamino)propyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-1H-purin-9-yl]acetyl]amino]acetic acid.

Molecular Properties

• Compound Name: fermium;2-[[3-[2-(2-methoxyethoxy)ethoxy]-2-(oxomethylamino)propyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-1H-purin-9-yl]acetyl]amino]acetic acid
• PubChem CID: 167509135
• Molecular Formula: C23H34FmN7O10-
• Molecular Weight: 825.56 g/mol
• Exact Mass: 825.33
• IUPAC Name: fermium;2-[[3-[2-(2-methoxyethoxy)ethoxy]-2-(oxomethylamino)propyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-1H-purin-9-yl]acetyl]amino]acetic acid
• SMILES: COCCOCCOCC(CN(CC(=O)O)C(=O)Cn1cnc2c(=O)[nH]c(NC(=O)OC(C)(C)C)nc21)N[C-]=O.[Fm]
• InChI: InChI=1S/C23H34N7O10.Fm/c1-23(2,3)40-22(36)28-21-26-19-18(20(35)27-21)24-13-30(19)10-16(32)29(11-17(33)34)9-15(25-14-31)12-39-8-7-38-6-5-37-4;/h13,15H,5-12H2,1-4H3,(H,25,31)(H,33,34)(H2,26,27,28,35,36);/q-1
• InChIKey: XXWDEFFWJLEGQO-UHFFFAOYSA-N
• XLogP: -0.92
• TPSA: 216.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.56
LogP ≤ 5	-0.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of fermium;2-[[3-[2-(2-methoxyethoxy)ethoxy]-2-(oxomethylamino)propyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-1H-purin-9-yl]acetyl]amino]acetic acid?

The IUPAC name of fermium;2-[[3-[2-(2-methoxyethoxy)ethoxy]-2-(oxomethylamino)propyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-1H-purin-9-yl]acetyl]amino]acetic acid (CID 167509135) is fermium;2-[[3-[2-(2-methoxyethoxy)ethoxy]-2-(oxomethylamino)propyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-1H-purin-9-yl]acetyl]amino]acetic acid.

What is the SMILES notation for fermium;2-[[3-[2-(2-methoxyethoxy)ethoxy]-2-(oxomethylamino)propyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-1H-purin-9-yl]acetyl]amino]acetic acid?

The canonical SMILES for fermium;2-[[3-[2-(2-methoxyethoxy)ethoxy]-2-(oxomethylamino)propyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-1H-purin-9-yl]acetyl]amino]acetic acid is COCCOCCOCC(CN(CC(=O)O)C(=O)Cn1cnc2c(=O)[nH]c(NC(=O)OC(C)(C)C)nc21)N[C-]=O.[Fm].

What is the InChIKey of fermium;2-[[3-[2-(2-methoxyethoxy)ethoxy]-2-(oxomethylamino)propyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-1H-purin-9-yl]acetyl]amino]acetic acid?

The InChIKey is XXWDEFFWJLEGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N7O10.Fm/c1-23(2,3)40-22(36)28-21-26-19-18(20(35)27-21)24-13-30(19)10-16(32)29(11-17(33)34)9-15(25-14-31)12-39-8-7-38-6-5-37-4;/h13,15H,5-12H2,1-4H3,(H,25,31)(H,33,34)(H2,26,27,28,35,36);/q-1;.

What are the key properties of fermium;2-[[3-[2-(2-methoxyethoxy)ethoxy]-2-(oxomethylamino)propyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-1H-purin-9-yl]acetyl]amino]acetic acid?

fermium;2-[[3-[2-(2-methoxyethoxy)ethoxy]-2-(oxomethylamino)propyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-1H-purin-9-yl]acetyl]amino]acetic acid has a molecular weight of 825.56 g/mol, XLogP of -0.92, 17 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for fermium;2-[[3-[2-(2-methoxyethoxy)ethoxy]-2-(oxomethylamino)propyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-1H-purin-9-yl]acetyl]amino]acetic acid is sourced from PubChem (CID 167509135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).