[hydroxy-[2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[13-methyl-17-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]pentoxy]phosphoryl]oxy [5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[17-[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]-2-(phosphonooxymethyl)pentyl] hydrogen phosphate

C89H125F17N2O24P4S4 — CID 157411641

About [hydroxy-[2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[13-methyl-17-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]pentoxy]phosphoryl]oxy [5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[17-[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]-2-(phosphonooxymethyl)pentyl] hydrogen phosphate

[hydroxy-[2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[13-methyl-17-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]pentoxy]phosphoryl]oxy [5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[17-[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]-2-(phosphonooxymethyl)pentyl] hydrogen phosphate (PubChem CID 157411641) has the molecular formula C89H125F17N2O24P4S4 and a molecular weight of 2182.10 g/mol. Its IUPAC name is [hydroxy-[2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[13-methyl-17-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]pentoxy]phosphoryl]oxy [5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[17-[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]-2-(phosphonooxymethyl)pentyl] hydrogen phosphate.

Molecular Properties

• Compound Name: [hydroxy-[2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[13-methyl-17-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]pentoxy]phosphoryl]oxy [5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[17-[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]-2-(phosphonooxymethyl)pentyl] hydrogen phosphate
• PubChem CID: 157411641
• Molecular Formula: C89H125F17N2O24P4S4
• Molecular Weight: 2182.10 g/mol
• Exact Mass: 2180.62
• IUPAC Name: [hydroxy-[2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[13-methyl-17-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]pentoxy]phosphoryl]oxy [5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[17-[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]-2-(phosphonooxymethyl)pentyl] hydrogen phosphate
• SMILES: COP(=O)(O)OCC(CCCOCCSSCCCN(C)Cc1c(F)c(F)c(Oc2ccc3c(c2)CCC2C3CCC3(C)C(OCCCOC(C)(C)C(F)(F)F)CCC23)c(F)c1F)COP(=O)(O)OOP(=O)(O)OCC(CCCOCCSSCCCN(C)Cc1c(F)c(F)c(Oc2ccc3c(c2)CCC2C3CCC3(C)C(OCCCOC(C)(C(F)(F)F)C(F)(F)F)CCC23)c(F)c1F)COP(=O)(O)O
• InChI: InChI=1S/C89H125F17N2O24P4S4/c1-83(2,87(98,99)100)123-39-13-37-121-71-27-25-69-65-21-17-57-47-59(19-23-61(57)63(65)29-31-84(69,71)3)129-81-77(94)75(92)68(76(93)78(81)95)50-108(7)34-12-44-138-140-46-42-120-36-10-16-56(52-126-134(112,113)118-8)54-128-136(116,117)132-131-135(114,115)127-53-55(51-125-133(109,110)111)15-9-35-119-41-45-139-137-43-11-33-107(6)49-67-73(90)79(96)82(80(97)74(67)91)130-60-20-24-62-58(48-60)18-22-66-64(62)30-32-85(4)70(66)26-28-72(85)122-38-14-40-124-86(5,88(101,102)103)89(104,105)106/h19-20,23-24,47-48,55-56,63-66,69-72H,9-18,21-22,25-46,49-54H2,1-8H3,(H,112,113)(H,114,115)(H,116,117)(H2,109,110,111)
• InChIKey: TUFZZTNRVXDGTG-UHFFFAOYSA-N
• XLogP: 23.89
• TPSA: 314.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 60
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2182.10
LogP ≤ 5	23.89
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [hydroxy-[2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[13-methyl-17-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]pentoxy]phosphoryl]oxy [5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[17-[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]-2-(phosphonooxymethyl)pentyl] hydrogen phosphate?

The IUPAC name of [hydroxy-[2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[13-methyl-17-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]pentoxy]phosphoryl]oxy [5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[17-[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]-2-(phosphonooxymethyl)pentyl] hydrogen phosphate (CID 157411641) is [hydroxy-[2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[13-methyl-17-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]pentoxy]phosphoryl]oxy [5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[17-[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]-2-(phosphonooxymethyl)pentyl] hydrogen phosphate.

What is the SMILES notation for [hydroxy-[2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[13-methyl-17-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]pentoxy]phosphoryl]oxy [5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[17-[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]-2-(phosphonooxymethyl)pentyl] hydrogen phosphate?

The canonical SMILES for [hydroxy-[2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[13-methyl-17-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]pentoxy]phosphoryl]oxy [5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[17-[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]-2-(phosphonooxymethyl)pentyl] hydrogen phosphate is COP(=O)(O)OCC(CCCOCCSSCCCN(C)Cc1c(F)c(F)c(Oc2ccc3c(c2)CCC2C3CCC3(C)C(OCCCOC(C)(C)C(F)(F)F)CCC23)c(F)c1F)COP(=O)(O)OOP(=O)(O)OCC(CCCOCCSSCCCN(C)Cc1c(F)c(F)c(Oc2ccc3c(c2)CCC2C3CCC3(C)C(OCCCOC(C)(C(F)(F)F)C(F)(F)F)CCC23)c(F)c1F)COP(=O)(O)O.

What is the InChIKey of [hydroxy-[2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[13-methyl-17-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]pentoxy]phosphoryl]oxy [5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[17-[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]-2-(phosphonooxymethyl)pentyl] hydrogen phosphate?

The InChIKey is TUFZZTNRVXDGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H125F17N2O24P4S4/c1-83(2,87(98,99)100)123-39-13-37-121-71-27-25-69-65-21-17-57-47-59(19-23-61(57)63(65)29-31-84(69,71)3)129-81-77(94)75(92)68(76(93)78(81)95)50-108(7)34-12-44-138-140-46-42-120-36-10-16-56(52-126-134(112,113)118-8)54-128-136(116,117)132-131-135(114,115)127-53-55(51-125-133(109,110)111)15-9-35-119-41-45-139-137-43-11-33-107(6)49-67-73(90)79(96)82(80(97)74(67)91)130-60-20-24-62-58(48-60)18-22-66-64(62)30-32-85(4)70(66)26-28-72(85)122-38-14-40-124-86(5,88(101,102)103)89(104,105)106/h19-20,23-24,47-48,55-56,63-66,69-72H,9-18,21-22,25-46,49-54H2,1-8H3,(H,112,113)(H,114,115)(H,116,117)(H2,109,110,111).

What are the key properties of [hydroxy-[2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[13-methyl-17-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]pentoxy]phosphoryl]oxy [5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[17-[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]-2-(phosphonooxymethyl)pentyl] hydrogen phosphate?

[hydroxy-[2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[13-methyl-17-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]pentoxy]phosphoryl]oxy [5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[17-[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]-2-(phosphonooxymethyl)pentyl] hydrogen phosphate has a molecular weight of 2182.10 g/mol, XLogP of 23.89, 60 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [hydroxy-[2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[13-methyl-17-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]pentoxy]phosphoryl]oxy [5-[2-[3-[methyl-[[2,3,5,6-tetrafluoro-4-[[17-[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxypropoxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]phenyl]methyl]amino]propyldisulfanyl]ethoxy]-2-(phosphonooxymethyl)pentyl] hydrogen phosphate is sourced from PubChem (CID 157411641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).