[(3aR,4R,6R,6aR)-4-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethylphosphonic acid;1-[2-[7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-2-yl]ethynyl]cyclopropan-1-ol;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-cyclopentyl-2-iodopyrrolo[2,3-d]pyrimidin-4-amine;[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid

C100H139IN16O31P4 — CID 157482648

About [(3aR,4R,6R,6aR)-4-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethylphosphonic acid;1-[2-[7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-2-yl]ethynyl]cyclopropan-1-ol;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-cyclopentyl-2-iodopyrrolo[2,3-d]pyrimidin-4-amine;[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid

[(3aR,4R,6R,6aR)-4-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethylphosphonic acid;1-[2-[7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-2-yl]ethynyl]cyclopropan-1-ol;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-cyclopentyl-2-iodopyrrolo[2,3-d]pyrimidin-4-amine;[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid (PubChem CID 157482648) has the molecular formula C100H139IN16O31P4 and a molecular weight of 2312.09 g/mol. Its IUPAC name is [(3aR,4R,6R,6aR)-4-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethylphosphonic acid;1-[2-[7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-2-yl]ethynyl]cyclopropan-1-ol;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-cyclopentyl-2-iodopyrrolo[2,3-d]pyrimidin-4-amine;[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid.

Molecular Properties

• Compound Name: [(3aR,4R,6R,6aR)-4-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethylphosphonic acid;1-[2-[7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-2-yl]ethynyl]cyclopropan-1-ol;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-cyclopentyl-2-iodopyrrolo[2,3-d]pyrimidin-4-amine;[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid
• PubChem CID: 157482648
• Molecular Formula: C100H139IN16O31P4
• Molecular Weight: 2312.09 g/mol
• Exact Mass: 2310.78
• IUPAC Name: [(3aR,4R,6R,6aR)-4-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethylphosphonic acid;1-[2-[7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-2-yl]ethynyl]cyclopropan-1-ol;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-cyclopentyl-2-iodopyrrolo[2,3-d]pyrimidin-4-amine;[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid
• SMILES: CC1(C)O[C@@H]2[C@H](O1)[C@@H](COCP(=O)(O)O)O[C@H]2n1ccc2c(NC3CCCC3)nc(C#CC3(O)CC3)nc21.CCOP(=O)(COC[C@H]1O[C@@H](n2ccc3c(NC4CCCC4)nc(C#CC4(O)CC4)nc32)[C@@H]2OC(C)(C)O[C@@H]21)OCC.CCOP(=O)(COC[C@H]1O[C@@H](n2ccc3c(NC4CCCC4)nc(I)nc32)[C@@H]2OC(C)(C)O[C@@H]21)OCC.O=P(O)(O)COC[C@H]1O[C@@H](n2ccc3c(NC4CCCC4)nc(C#CC4(O)CC4)nc32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C29H41N4O8P.C25H33N4O8P.C24H36IN4O7P.C22H29N4O8P/c1-5-37-42(35,38-6-2)18-36-17-21-23-24(41-28(3,4)40-23)27(39-21)33-16-12-20-25(30-19-9-7-8-10-19)31-22(32-26(20)33)11-13-29(34)14-15-29;1-24(2)36-19-17(13-34-14-38(31,32)33)35-23(20(19)37-24)29-12-8-16-21(26-15-5-3-4-6-15)27-18(28-22(16)29)7-9-25(30)10-11-25;1-5-32-37(30,33-6-2)14-31-13-17-18-19(36-24(3,4)35-18)22(34-17)29-12-11-16-20(26-15-9-7-8-10-15)27-23(25)28-21(16)29;27-17-15(11-33-12-35(30,31)32)34-21(18(17)28)26-10-6-14-19(23-13-3-1-2-4-13)24-16(25-20(14)26)5-7-22(29)8-9-22/h12,16,19,21,23-24,27,34H,5-10,14-15,17-18H2,1-4H3,(H,30,31,32);8,12,15,17,19-20,23,30H,3-6,10-11,13-14H2,1-2H3,(H,26,27,28)(H2,31,32,33);11-12,15,17-19,22H,5-10,13-14H2,1-4H3,(H,26,27,28);6,10,13,15,17-18,21,27-29H,1-4,8-9,11-12H2,(H,23,24,25)(H2,30,31,32)/t21-,23-,24-,27-;17-,19-,20-,23-;17-,18-,19-,22-;15-,17-,18-,21-/m1111/s1
• InChIKey: BWIKEMNMZPJOST-MZDWZMGUSA-N
• XLogP: 12.03
• TPSA: 587.45 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 43
• Rotatable Bonds: 36
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2312.09
LogP ≤ 5	12.03
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3aR,4R,6R,6aR)-4-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethylphosphonic acid;1-[2-[7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-2-yl]ethynyl]cyclopropan-1-ol;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-cyclopentyl-2-iodopyrrolo[2,3-d]pyrimidin-4-amine;[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid?

The IUPAC name of [(3aR,4R,6R,6aR)-4-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethylphosphonic acid;1-[2-[7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-2-yl]ethynyl]cyclopropan-1-ol;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-cyclopentyl-2-iodopyrrolo[2,3-d]pyrimidin-4-amine;[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid (CID 157482648) is [(3aR,4R,6R,6aR)-4-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethylphosphonic acid;1-[2-[7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-2-yl]ethynyl]cyclopropan-1-ol;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-cyclopentyl-2-iodopyrrolo[2,3-d]pyrimidin-4-amine;[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid.

What is the SMILES notation for [(3aR,4R,6R,6aR)-4-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethylphosphonic acid;1-[2-[7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-2-yl]ethynyl]cyclopropan-1-ol;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-cyclopentyl-2-iodopyrrolo[2,3-d]pyrimidin-4-amine;[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid?

The canonical SMILES for [(3aR,4R,6R,6aR)-4-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethylphosphonic acid;1-[2-[7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-2-yl]ethynyl]cyclopropan-1-ol;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-cyclopentyl-2-iodopyrrolo[2,3-d]pyrimidin-4-amine;[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid is CC1(C)O[C@@H]2[C@H](O1)[C@@H](COCP(=O)(O)O)O[C@H]2n1ccc2c(NC3CCCC3)nc(C#CC3(O)CC3)nc21.CCOP(=O)(COC[C@H]1O[C@@H](n2ccc3c(NC4CCCC4)nc(C#CC4(O)CC4)nc32)[C@@H]2OC(C)(C)O[C@@H]21)OCC.CCOP(=O)(COC[C@H]1O[C@@H](n2ccc3c(NC4CCCC4)nc(I)nc32)[C@@H]2OC(C)(C)O[C@@H]21)OCC.O=P(O)(O)COC[C@H]1O[C@@H](n2ccc3c(NC4CCCC4)nc(C#CC4(O)CC4)nc32)[C@H](O)[C@@H]1O.

What is the InChIKey of [(3aR,4R,6R,6aR)-4-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethylphosphonic acid;1-[2-[7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-2-yl]ethynyl]cyclopropan-1-ol;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-cyclopentyl-2-iodopyrrolo[2,3-d]pyrimidin-4-amine;[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid?

The InChIKey is BWIKEMNMZPJOST-MZDWZMGUSA-N. The full InChI is InChI=1S/C29H41N4O8P.C25H33N4O8P.C24H36IN4O7P.C22H29N4O8P/c1-5-37-42(35,38-6-2)18-36-17-21-23-24(41-28(3,4)40-23)27(39-21)33-16-12-20-25(30-19-9-7-8-10-19)31-22(32-26(20)33)11-13-29(34)14-15-29;1-24(2)36-19-17(13-34-14-38(31,32)33)35-23(20(19)37-24)29-12-8-16-21(26-15-5-3-4-6-15)27-18(28-22(16)29)7-9-25(30)10-11-25;1-5-32-37(30,33-6-2)14-31-13-17-18-19(36-24(3,4)35-18)22(34-17)29-12-11-16-20(26-15-9-7-8-10-15)27-23(25)28-21(16)29;27-17-15(11-33-12-35(30,31)32)34-21(18(17)28)26-10-6-14-19(23-13-3-1-2-4-13)24-16(25-20(14)26)5-7-22(29)8-9-22/h12,16,19,21,23-24,27,34H,5-10,14-15,17-18H2,1-4H3,(H,30,31,32);8,12,15,17,19-20,23,30H,3-6,10-11,13-14H2,1-2H3,(H,26,27,28)(H2,31,32,33);11-12,15,17-19,22H,5-10,13-14H2,1-4H3,(H,26,27,28);6,10,13,15,17-18,21,27-29H,1-4,8-9,11-12H2,(H,23,24,25)(H2,30,31,32)/t21-,23-,24-,27-;17-,19-,20-,23-;17-,18-,19-,22-;15-,17-,18-,21-/m1111/s1.

What are the key properties of [(3aR,4R,6R,6aR)-4-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethylphosphonic acid;1-[2-[7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-2-yl]ethynyl]cyclopropan-1-ol;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-cyclopentyl-2-iodopyrrolo[2,3-d]pyrimidin-4-amine;[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid?

[(3aR,4R,6R,6aR)-4-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethylphosphonic acid;1-[2-[7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-2-yl]ethynyl]cyclopropan-1-ol;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-cyclopentyl-2-iodopyrrolo[2,3-d]pyrimidin-4-amine;[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid has a molecular weight of 2312.09 g/mol, XLogP of 12.03, 36 rotatable bonds, 13 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for [(3aR,4R,6R,6aR)-4-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethylphosphonic acid;1-[2-[7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-(cyclopentylamino)pyrrolo[2,3-d]pyrimidin-2-yl]ethynyl]cyclopropan-1-ol;7-[(3aR,4R,6R,6aR)-6-(diethoxyphosphorylmethoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N-cyclopentyl-2-iodopyrrolo[2,3-d]pyrimidin-4-amine;[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-2-[2-(1-hydroxycyclopropyl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxyoxolan-2-yl]methoxymethylphosphonic acid is sourced from PubChem (CID 157482648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).