7-[(3aS,4S,6R,6aR)-6-[[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphoryl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-cyclopentylimidazo[2,1-f][1,2,4]triazin-4-amine;[(3aS,4S,6R,6aR)-4-[2-chloro-4-(cyclopentylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;2-methoxyethanol;hydrochloride

C90H172Cl3N13O24P6 — CID 165062489

About 7-[(3aS,4S,6R,6aR)-6-[[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphoryl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-cyclopentylimidazo[2,1-f][1,2,4]triazin-4-amine;[(3aS,4S,6R,6aR)-4-[2-chloro-4-(cyclopentylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;2-methoxyethanol;hydrochloride

7-[(3aS,4S,6R,6aR)-6-[[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphoryl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-cyclopentylimidazo[2,1-f][1,2,4]triazin-4-amine;[(3aS,4S,6R,6aR)-4-[2-chloro-4-(cyclopentylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;2-methoxyethanol;hydrochloride (PubChem CID 165062489) has the molecular formula C90H172Cl3N13O24P6 and a molecular weight of 2112.64 g/mol. Its IUPAC name is 7-[(3aS,4S,6R,6aR)-6-[[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphoryl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-cyclopentylimidazo[2,1-f][1,2,4]triazin-4-amine;[(3aS,4S,6R,6aR)-4-[2-chloro-4-(cyclopentylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;2-methoxyethanol;hydrochloride.

Molecular Properties

• Compound Name: 7-[(3aS,4S,6R,6aR)-6-[[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphoryl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-cyclopentylimidazo[2,1-f][1,2,4]triazin-4-amine;[(3aS,4S,6R,6aR)-4-[2-chloro-4-(cyclopentylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;2-methoxyethanol;hydrochloride
• PubChem CID: 165062489
• Molecular Formula: C90H172Cl3N13O24P6
• Molecular Weight: 2112.64 g/mol
• Exact Mass: 2110.01
• IUPAC Name: 7-[(3aS,4S,6R,6aR)-6-[[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphoryl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-cyclopentylimidazo[2,1-f][1,2,4]triazin-4-amine;[(3aS,4S,6R,6aR)-4-[2-chloro-4-(cyclopentylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;2-methoxyethanol;hydrochloride
• SMILES: CC(C)N(C(C)C)P(CP(=O)(OC(C)(C)C)OC(C)(C)C)N(C(C)C)C(C)C.CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2c1cnc2c(NC3CCCC3)nc(Cl)nn12.COCCO.COCCOP(=O)(CP(=O)(OC(C)(C)C)OC(C)(C)C)OC[C@H]1O[C@@H](c2cnc3c(NC4CCCC4)nc(Cl)nn23)[C@@H]2OC(C)(C)O[C@@H]21.COCCOP(CP(=O)(OC(C)(C)C)OC(C)(C)C)N(C(C)C)C(C)C.Cl
• InChI: InChI=1S/C30H50ClN5O10P2.C21H48N2O3P2.C18H24ClN5O4.C18H41NO5P2.C3H8O2.ClH/c1-28(2,3)45-48(38,46-29(4,5)6)18-47(37,40-15-14-39-9)41-17-21-23-24(44-30(7,8)43-23)22(42-21)20-16-32-26-25(33-19-12-10-11-13-19)34-27(31)35-36(20)26;1-16(2)22(17(3)4)27(23(18(5)6)19(7)8)15-28(24,25-20(9,10)11)26-21(12,13)14;1-18(2)27-13-11(8-25)26-12(14(13)28-18)10-7-20-16-15(21-9-5-3-4-6-9)22-17(19)23-24(10)16;1-15(2)19(16(3)4)25(22-13-12-21-11)14-26(20,23-17(5,6)7)24-18(8,9)10;1-5-3-2-4;/h16,19,21-24H,10-15,17-18H2,1-9H3,(H,33,34,35);16-19H,15H2,1-14H3;7,9,11-14,25H,3-6,8H2,1-2H3,(H,21,22,23);15-16H,12-14H2,1-11H3;4H,2-3H2,1H3;1H/t21-,22+,23-,24+,47?;;11-,12+,13-,14+;;;/m1.1.../s1
• InChIKey: ZJEKTZIZCDNJSH-HSMJJFERSA-N
• XLogP: 22.05
• TPSA: 394.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 37
• Rotatable Bonds: 41
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2112.64
LogP ≤ 5	22.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	37

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 7-[(3aS,4S,6R,6aR)-6-[[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphoryl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-cyclopentylimidazo[2,1-f][1,2,4]triazin-4-amine;[(3aS,4S,6R,6aR)-4-[2-chloro-4-(cyclopentylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;2-methoxyethanol;hydrochloride?

The IUPAC name of 7-[(3aS,4S,6R,6aR)-6-[[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphoryl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-cyclopentylimidazo[2,1-f][1,2,4]triazin-4-amine;[(3aS,4S,6R,6aR)-4-[2-chloro-4-(cyclopentylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;2-methoxyethanol;hydrochloride (CID 165062489) is 7-[(3aS,4S,6R,6aR)-6-[[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphoryl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-cyclopentylimidazo[2,1-f][1,2,4]triazin-4-amine;[(3aS,4S,6R,6aR)-4-[2-chloro-4-(cyclopentylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;2-methoxyethanol;hydrochloride.

What is the SMILES notation for 7-[(3aS,4S,6R,6aR)-6-[[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphoryl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-cyclopentylimidazo[2,1-f][1,2,4]triazin-4-amine;[(3aS,4S,6R,6aR)-4-[2-chloro-4-(cyclopentylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;2-methoxyethanol;hydrochloride?

The canonical SMILES for 7-[(3aS,4S,6R,6aR)-6-[[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphoryl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-cyclopentylimidazo[2,1-f][1,2,4]triazin-4-amine;[(3aS,4S,6R,6aR)-4-[2-chloro-4-(cyclopentylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;2-methoxyethanol;hydrochloride is CC(C)N(C(C)C)P(CP(=O)(OC(C)(C)C)OC(C)(C)C)N(C(C)C)C(C)C.CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2c1cnc2c(NC3CCCC3)nc(Cl)nn12.COCCO.COCCOP(=O)(CP(=O)(OC(C)(C)C)OC(C)(C)C)OC[C@H]1O[C@@H](c2cnc3c(NC4CCCC4)nc(Cl)nn23)[C@@H]2OC(C)(C)O[C@@H]21.COCCOP(CP(=O)(OC(C)(C)C)OC(C)(C)C)N(C(C)C)C(C)C.Cl.

What is the InChIKey of 7-[(3aS,4S,6R,6aR)-6-[[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphoryl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-cyclopentylimidazo[2,1-f][1,2,4]triazin-4-amine;[(3aS,4S,6R,6aR)-4-[2-chloro-4-(cyclopentylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;2-methoxyethanol;hydrochloride?

The InChIKey is ZJEKTZIZCDNJSH-HSMJJFERSA-N. The full InChI is InChI=1S/C30H50ClN5O10P2.C21H48N2O3P2.C18H24ClN5O4.C18H41NO5P2.C3H8O2.ClH/c1-28(2,3)45-48(38,46-29(4,5)6)18-47(37,40-15-14-39-9)41-17-21-23-24(44-30(7,8)43-23)22(42-21)20-16-32-26-25(33-19-12-10-11-13-19)34-27(31)35-36(20)26;1-16(2)22(17(3)4)27(23(18(5)6)19(7)8)15-28(24,25-20(9,10)11)26-21(12,13)14;1-18(2)27-13-11(8-25)26-12(14(13)28-18)10-7-20-16-15(21-9-5-3-4-6-9)22-17(19)23-24(10)16;1-15(2)19(16(3)4)25(22-13-12-21-11)14-26(20,23-17(5,6)7)24-18(8,9)10;1-5-3-2-4;/h16,19,21-24H,10-15,17-18H2,1-9H3,(H,33,34,35);16-19H,15H2,1-14H3;7,9,11-14,25H,3-6,8H2,1-2H3,(H,21,22,23);15-16H,12-14H2,1-11H3;4H,2-3H2,1H3;1H/t21-,22+,23-,24+,47?;;11-,12+,13-,14+;;;/m1.1.../s1.

What are the key properties of 7-[(3aS,4S,6R,6aR)-6-[[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphoryl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-cyclopentylimidazo[2,1-f][1,2,4]triazin-4-amine;[(3aS,4S,6R,6aR)-4-[2-chloro-4-(cyclopentylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;2-methoxyethanol;hydrochloride?

7-[(3aS,4S,6R,6aR)-6-[[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphoryl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-cyclopentylimidazo[2,1-f][1,2,4]triazin-4-amine;[(3aS,4S,6R,6aR)-4-[2-chloro-4-(cyclopentylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;2-methoxyethanol;hydrochloride has a molecular weight of 2112.64 g/mol, XLogP of 22.05, 41 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3aS,4S,6R,6aR)-6-[[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphoryl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-chloro-N-cyclopentylimidazo[2,1-f][1,2,4]triazin-4-amine;[(3aS,4S,6R,6aR)-4-[2-chloro-4-(cyclopentylamino)imidazo[2,1-f][1,2,4]triazin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[di(propan-2-yl)amino]phosphanyl]-N-propan-2-ylpropan-2-amine;N-[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-(2-methoxyethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;2-methoxyethanol;hydrochloride is sourced from PubChem (CID 165062489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).