2-[2-[2-[2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate

C28H69F3N3O44P11 — CID 174163754

IUPAC2-[2-[2-[2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate
SMILESCC(CNF)COP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCC(CNF)COP(=O)(O)OCCOP(=O)(O)OCC(CNF)COP(=O)(O)O
InChIInChI=1S/C28H69F3N3O44P11/c1-26(18-32-29)21-75-86(50,51)70-14-12-68-84(46,47)66-10-8-64-82(42,43)62-6-4-60-80(38,39)58-2-3-59-81(40,41)61-5-7-63-83(44,45)65-9-11-67-85(48,49)69-13-15-71-88(54,55)77-24-28(20-34-31)25-78-89(56,57)73-17-16-72-87(52,53)76-23-27(19-33-30)22-74-79(35,36)37/h26-28,32-34H,2-25H2,1H3,(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H2,35,36,37)
InChIKeyPUFHYRDUYPAXLU-UHFFFAOYSA-N
MW1549.55 g/mol
LogP1.72
Rot. Bonds61

About 2-[2-[2-[2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate

2-[2-[2-[2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate (PubChem CID 174163754) has the molecular formula C28H69F3N3O44P11 and a molecular weight of 1549.55 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate
PubChem CID174163754
Molecular FormulaC28H69F3N3O44P11
Molecular Weight1549.55 g/mol
Exact Mass1549.03
IUPAC Name2-[2-[2-[2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate
SMILESCC(CNF)COP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCC(CNF)COP(=O)(O)OCCOP(=O)(O)OCC(CNF)COP(=O)(O)O
InChIInChI=1S/C28H69F3N3O44P11/c1-26(18-32-29)21-75-86(50,51)70-14-12-68-84(46,47)66-10-8-64-82(42,43)62-6-4-60-80(38,39)58-2-3-59-81(40,41)61-5-7-63-83(44,45)65-9-11-67-85(48,49)69-13-15-71-88(54,55)77-24-28(20-34-31)25-78-89(56,57)73-17-16-72-87(52,53)76-23-27(19-33-30)22-74-79(35,36)37/h26-28,32-34H,2-25H2,1H3,(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H2,35,36,37)
InChIKeyPUFHYRDUYPAXLU-UHFFFAOYSA-N
XLogP1.72
TPSA660.45 Ų
H-Bond Donors15
H-Bond Acceptors35
Rotatable Bonds61
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001549.55
LogP ≤ 51.72
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1035

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'}

Analyze 2-[2-[2-[2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate with MolForge

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Related Compounds

2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate
CID 174163746
2-[2-[2-[2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [2-(methylaminomethyl)-3-phosphonooxypropyl] hydrogen phosphate
CID 159421649
2-[2-[2-[2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [2-[(fluoroamino)methyl]-3-phosphonooxypropyl] hydrogen phosphate
CID 156674337
2-[[2-[[2-[[2-(aminomethyl)-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxymethyl]-3-(fluoroamino)propoxy]-hydroxyphosphoryl]oxyethyl [2-(aminomethyl)-3-phosphonooxypropyl] hydrogen phosphate
CID 155789388
2-[2-[2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethoxy]ethoxy]ethoxy-hydroxyphosphoryl]oxyethoxy]ethoxy]ethyl [2-[(fluoroamino)methyl]-3-phosphonooxypropyl] hydrogen phosphate
CID 140826305
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-hydroxyphosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl [2-[(fluoroamino)methyl]-3-phosphonooxypropyl] hydrogen phosphate
CID 140826315
2-[hydroxy-[2-[hydroxy-[2-[hydroxy-[2-[hydroxy-[2-[hydroxy-[2-[hydroxy-[2-[hydroxy-[2-[hydroxy-[2-(hydroxymethyl)-3-(methylamino)propoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethyl [2-(methylaminomethyl)-3-phosphonooxypropyl] hydrogen phosphate
CID 158579673
2-[hydroxy-[2-[hydroxy-[2-[hydroxy-[2-(hydroxymethyl)-3-(methylamino)propoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethyl [2-(methylaminomethyl)-3-phosphonooxypropyl] hydrogen phosphate
CID 158286164
2-[[3-(fluoroamino)-2-methylpropoxy]-oxidophosphoryl]oxyethyl hydrogen phosphate
CID 155648991
2-[hydroxy-[2-[hydroxy-[2-(hydroxymethyl)butoxy]phosphoryl]oxyethoxy]phosphoryl]oxyethyl 2-(phosphonooxymethyl)butyl hydrogen phosphate
CID 159554898
ethyl-[2-[[hydroxy-[2-[hydroxy-[2-[[hydroxy(methyl)phosphoryl]oxymethyl]-3-(methylamino)propoxy]phosphoryl]oxyethoxy]phosphoryl]oxymethyl]-3-(methylamino)propoxy]phosphinic acid
CID 165100224
[2-[(fluoroamino)methyl]-3-[[2-[[hydroxy(oxido)phosphoryl]oxymethyl]-3-(methylamino)propoxy]-oxidophosphoryl]oxypropyl] hydrogen phosphate;methane
CID 158164362

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate (CID 174163754) is 2-[2-[2-[2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate is CC(CNF)COP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCCOP(=O)(O)OCC(CNF)COP(=O)(O)OCCOP(=O)(O)OCC(CNF)COP(=O)(O)O.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate?
The InChIKey is PUFHYRDUYPAXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H69F3N3O44P11/c1-26(18-32-29)21-75-86(50,51)70-14-12-68-84(46,47)66-10-8-64-82(42,43)62-6-4-60-80(38,39)58-2-3-59-81(40,41)61-5-7-63-83(44,45)65-9-11-67-85(48,49)69-13-15-71-88(54,55)77-24-28(20-34-31)25-78-89(56,57)73-17-16-72-87(52,53)76-23-27(19-33-30)22-74-79(35,36)37/h26-28,32-34H,2-25H2,1H3,(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H2,35,36,37).
What are the key properties of 2-[2-[2-[2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate?
2-[2-[2-[2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate has a molecular weight of 1549.55 g/mol, XLogP of 1.72, 61 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-[[2-[(fluoroamino)methyl]-3-[2-[[2-[(fluoroamino)methyl]-3-phosphonooxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxypropoxy]-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethoxy-hydroxyphosphoryl]oxyethyl [3-(fluoroamino)-2-methylpropyl] hydrogen phosphate is sourced from PubChem (CID 174163754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).