[(2R,4R)-2-[[2-[[1-[4-[2-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2S,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-2-oxoethyl]phenyl]-4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-7-yl]oxycarbonylamino]ethoxy-oxidophosphoryl]oxymethyl]-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] [(1R,4R)-2-hydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl phosphate

C60H86N10O39P8-2 — CID 153484917

About [(2R,4R)-2-[[2-[[1-[4-[2-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2S,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-2-oxoethyl]phenyl]-4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-7-yl]oxycarbonylamino]ethoxy-oxidophosphoryl]oxymethyl]-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] [(1R,4R)-2-hydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl phosphate

[(2R,4R)-2-[[2-[[1-[4-[2-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2S,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-2-oxoethyl]phenyl]-4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-7-yl]oxycarbonylamino]ethoxy-oxidophosphoryl]oxymethyl]-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] [(1R,4R)-2-hydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl phosphate (PubChem CID 153484917) has the molecular formula C60H86N10O39P8-2 and a molecular weight of 1819.17 g/mol. Its IUPAC name is [(2R,4R)-2-[[2-[[1-[4-[2-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2S,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-2-oxoethyl]phenyl]-4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-7-yl]oxycarbonylamino]ethoxy-oxidophosphoryl]oxymethyl]-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] [(1R,4R)-2-hydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl phosphate.

Molecular Properties

• Compound Name: [(2R,4R)-2-[[2-[[1-[4-[2-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2S,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-2-oxoethyl]phenyl]-4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-7-yl]oxycarbonylamino]ethoxy-oxidophosphoryl]oxymethyl]-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] [(1R,4R)-2-hydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl phosphate
• PubChem CID: 153484917
• Molecular Formula: C60H86N10O39P8-2
• Molecular Weight: 1819.17 g/mol
• Exact Mass: 1818.30
• IUPAC Name: [(2R,4R)-2-[[2-[[1-[4-[2-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2S,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-2-oxoethyl]phenyl]-4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-7-yl]oxycarbonylamino]ethoxy-oxidophosphoryl]oxymethyl]-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] [(1R,4R)-2-hydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl phosphate
• SMILES: Cc1nnc(-c2ccc(CC(=O)NCCCCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3O)cc2)c2c1CCC(OC(=O)NCCOP(=O)([O-])OC[C@H]1C[C@@H](n3cc(C)c(=O)[nH]c3=O)CC1OP(=O)([O-])OC[C@H]1C[C@@H](n3cc(C)c(=O)[nH]c3=O)CC1O)CCC2
• InChI: InChI=1S/C60H88N10O39P8/c1-34-28-68(57(77)63-54(34)74)42-23-40(47(71)25-42)31-100-111(83,84)104-49-26-43(69-29-35(2)55(75)64-58(69)78)24-41(49)32-99-110(81,82)98-21-19-62-60(80)102-44-10-9-11-46-45(17-16-44)37(4)66-67-53(46)39-14-12-38(13-15-39)22-51(73)61-18-7-5-6-8-20-97-112(85,86)105-114(89,90)107-116(93,94)109-117(95,96)108-115(91,92)106-113(87,88)101-33-50-48(72)27-52(103-50)70-30-36(3)56(76)65-59(70)79/h12-15,28-30,40-44,47-50,52,71-72H,5-11,16-27,31-33H2,1-4H3,(H,61,73)(H,62,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,63,74,77)(H,64,75,78)(H,65,76,79)/p-2/t40-,41-,42-,43-,44?,47?,48+,49?,50+,52+/m1/s1
• InChIKey: CIMRSIQVEXKOIZ-KGOMWBGHSA-L
• XLogP: 2.61
• TPSA: 713.07 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 38
• Rotatable Bonds: 40
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1819.17
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2-[[2-[[1-[4-[2-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2S,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-2-oxoethyl]phenyl]-4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-7-yl]oxycarbonylamino]ethoxy-oxidophosphoryl]oxymethyl]-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] [(1R,4R)-2-hydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl phosphate?

The IUPAC name of [(2R,4R)-2-[[2-[[1-[4-[2-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2S,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-2-oxoethyl]phenyl]-4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-7-yl]oxycarbonylamino]ethoxy-oxidophosphoryl]oxymethyl]-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] [(1R,4R)-2-hydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl phosphate (CID 153484917) is [(2R,4R)-2-[[2-[[1-[4-[2-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2S,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-2-oxoethyl]phenyl]-4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-7-yl]oxycarbonylamino]ethoxy-oxidophosphoryl]oxymethyl]-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] [(1R,4R)-2-hydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl phosphate.

What is the SMILES notation for [(2R,4R)-2-[[2-[[1-[4-[2-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2S,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-2-oxoethyl]phenyl]-4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-7-yl]oxycarbonylamino]ethoxy-oxidophosphoryl]oxymethyl]-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] [(1R,4R)-2-hydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl phosphate?

The canonical SMILES for [(2R,4R)-2-[[2-[[1-[4-[2-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2S,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-2-oxoethyl]phenyl]-4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-7-yl]oxycarbonylamino]ethoxy-oxidophosphoryl]oxymethyl]-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] [(1R,4R)-2-hydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl phosphate is Cc1nnc(-c2ccc(CC(=O)NCCCCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4cc(C)c(=O)[nH]c4=O)C[C@@H]3O)cc2)c2c1CCC(OC(=O)NCCOP(=O)([O-])OC[C@H]1C[C@@H](n3cc(C)c(=O)[nH]c3=O)CC1OP(=O)([O-])OC[C@H]1C[C@@H](n3cc(C)c(=O)[nH]c3=O)CC1O)CCC2.

What is the InChIKey of [(2R,4R)-2-[[2-[[1-[4-[2-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2S,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-2-oxoethyl]phenyl]-4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-7-yl]oxycarbonylamino]ethoxy-oxidophosphoryl]oxymethyl]-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] [(1R,4R)-2-hydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl phosphate?

The InChIKey is CIMRSIQVEXKOIZ-KGOMWBGHSA-L. The full InChI is InChI=1S/C60H88N10O39P8/c1-34-28-68(57(77)63-54(34)74)42-23-40(47(71)25-42)31-100-111(83,84)104-49-26-43(69-29-35(2)55(75)64-58(69)78)24-41(49)32-99-110(81,82)98-21-19-62-60(80)102-44-10-9-11-46-45(17-16-44)37(4)66-67-53(46)39-14-12-38(13-15-39)22-51(73)61-18-7-5-6-8-20-97-112(85,86)105-114(89,90)107-116(93,94)109-117(95,96)108-115(91,92)106-113(87,88)101-33-50-48(72)27-52(103-50)70-30-36(3)56(76)65-59(70)79/h12-15,28-30,40-44,47-50,52,71-72H,5-11,16-27,31-33H2,1-4H3,(H,61,73)(H,62,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,63,74,77)(H,64,75,78)(H,65,76,79)/p-2/t40-,41-,42-,43-,44?,47?,48+,49?,50+,52+/m1/s1.

What are the key properties of [(2R,4R)-2-[[2-[[1-[4-[2-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2S,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-2-oxoethyl]phenyl]-4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-7-yl]oxycarbonylamino]ethoxy-oxidophosphoryl]oxymethyl]-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] [(1R,4R)-2-hydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl phosphate?

[(2R,4R)-2-[[2-[[1-[4-[2-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2S,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-2-oxoethyl]phenyl]-4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-7-yl]oxycarbonylamino]ethoxy-oxidophosphoryl]oxymethyl]-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] [(1R,4R)-2-hydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl phosphate has a molecular weight of 1819.17 g/mol, XLogP of 2.61, 40 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4R)-2-[[2-[[1-[4-[2-[6-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2S,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyhexylamino]-2-oxoethyl]phenyl]-4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazin-7-yl]oxycarbonylamino]ethoxy-oxidophosphoryl]oxymethyl]-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl] [(1R,4R)-2-hydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl phosphate is sourced from PubChem (CID 153484917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).