[2-[(fluoroamino)methyl]-3-[2-[2-[[2-[(fluoroamino)methyl]-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate;methane

C14H34F2N2O17P4-4 — CID 159543312

About [2-[(fluoroamino)methyl]-3-[2-[2-[[2-[(fluoroamino)methyl]-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate;methane

[2-[(fluoroamino)methyl]-3-[2-[2-[[2-[(fluoroamino)methyl]-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate;methane (PubChem CID 159543312) has the molecular formula C14H34F2N2O17P4-4 and a molecular weight of 664.31 g/mol. Its IUPAC name is [2-[(fluoroamino)methyl]-3-[2-[2-[[2-[(fluoroamino)methyl]-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate;methane.

Molecular Properties

• Compound Name: [2-[(fluoroamino)methyl]-3-[2-[2-[[2-[(fluoroamino)methyl]-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate;methane
• PubChem CID: 159543312
• Molecular Formula: C14H34F2N2O17P4-4
• Molecular Weight: 664.31 g/mol
• Exact Mass: 664.08
• IUPAC Name: [2-[(fluoroamino)methyl]-3-[2-[2-[[2-[(fluoroamino)methyl]-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate;methane
• SMILES: C.C.O=P([O-])(O)OCC(CNF)COP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCC(CO)CNF
• InChI: InChI=1S/C12H30F2N2O17P4.2CH4/c13-15-5-11(7-17)8-32-36(23,24)29-3-1-27-35(21,22)28-2-4-30-37(25,26)33-10-12(6-16-14)9-31-34(18,19)20;;/h11-12,15-17H,1-10H2,(H,21,22)(H,23,24)(H,25,26)(H2,18,19,20);2*1H4/p-4
• InChIKey: MEMHQKWPXVOOEP-UHFFFAOYSA-J
• XLogP: -1.59
• TPSA: 289.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.31
LogP ≤ 5	-1.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[(fluoroamino)methyl]-3-[2-[2-[[2-[(fluoroamino)methyl]-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate;methane?

The IUPAC name of [2-[(fluoroamino)methyl]-3-[2-[2-[[2-[(fluoroamino)methyl]-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate;methane (CID 159543312) is [2-[(fluoroamino)methyl]-3-[2-[2-[[2-[(fluoroamino)methyl]-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate;methane.

What is the SMILES notation for [2-[(fluoroamino)methyl]-3-[2-[2-[[2-[(fluoroamino)methyl]-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate;methane?

The canonical SMILES for [2-[(fluoroamino)methyl]-3-[2-[2-[[2-[(fluoroamino)methyl]-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate;methane is C.C.O=P([O-])(O)OCC(CNF)COP(=O)([O-])OCCOP(=O)([O-])OCCOP(=O)([O-])OCC(CO)CNF.

What is the InChIKey of [2-[(fluoroamino)methyl]-3-[2-[2-[[2-[(fluoroamino)methyl]-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate;methane?

The InChIKey is MEMHQKWPXVOOEP-UHFFFAOYSA-J. The full InChI is InChI=1S/C12H30F2N2O17P4.2CH4/c13-15-5-11(7-17)8-32-36(23,24)29-3-1-27-35(21,22)28-2-4-30-37(25,26)33-10-12(6-16-14)9-31-34(18,19)20;;/h11-12,15-17H,1-10H2,(H,21,22)(H,23,24)(H,25,26)(H2,18,19,20);2*1H4/p-4.

What are the key properties of [2-[(fluoroamino)methyl]-3-[2-[2-[[2-[(fluoroamino)methyl]-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate;methane?

[2-[(fluoroamino)methyl]-3-[2-[2-[[2-[(fluoroamino)methyl]-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate;methane has a molecular weight of 664.31 g/mol, XLogP of -1.59, 24 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(fluoroamino)methyl]-3-[2-[2-[[2-[(fluoroamino)methyl]-3-hydroxypropoxy]-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxyethoxy-oxidophosphoryl]oxypropyl] hydrogen phosphate;methane is sourced from PubChem (CID 159543312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).