[(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2S,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylphosphonic acid;[(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]oxymethylphosphonic acid;4-amino-7-[(2R,3R,4S,5S)-5-(diethoxyphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-7-[(2R,5S)-5-[[ethoxy(methoxymethyl)phosphoryl]methoxymethyl]-2,5-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide

C93H144N25O37P5 — CID 163666831

About [(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2S,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylphosphonic acid;[(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]oxymethylphosphonic acid;4-amino-7-[(2R,3R,4S,5S)-5-(diethoxyphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-7-[(2R,5S)-5-[[ethoxy(methoxymethyl)phosphoryl]methoxymethyl]-2,5-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide

[(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2S,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylphosphonic acid;[(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]oxymethylphosphonic acid;4-amino-7-[(2R,3R,4S,5S)-5-(diethoxyphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-7-[(2R,5S)-5-[[ethoxy(methoxymethyl)phosphoryl]methoxymethyl]-2,5-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 163666831) has the molecular formula C93H144N25O37P5 and a molecular weight of 2359.18 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2S,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylphosphonic acid;[(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]oxymethylphosphonic acid;4-amino-7-[(2R,3R,4S,5S)-5-(diethoxyphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-7-[(2R,5S)-5-[[ethoxy(methoxymethyl)phosphoryl]methoxymethyl]-2,5-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: [(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2S,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylphosphonic acid;[(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]oxymethylphosphonic acid;4-amino-7-[(2R,3R,4S,5S)-5-(diethoxyphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-7-[(2R,5S)-5-[[ethoxy(methoxymethyl)phosphoryl]methoxymethyl]-2,5-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
• PubChem CID: 163666831
• Molecular Formula: C93H144N25O37P5
• Molecular Weight: 2359.18 g/mol
• Exact Mass: 2357.88
• IUPAC Name: [(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2S,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylphosphonic acid;[(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]oxymethylphosphonic acid;4-amino-7-[(2R,3R,4S,5S)-5-(diethoxyphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-7-[(2R,5S)-5-[[ethoxy(methoxymethyl)phosphoryl]methoxymethyl]-2,5-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide
• SMILES: CCCCCCCCCCCCCCCCOCCCOP(=O)(O)OC[C@H]1O[C@@H](n2cc(C(N)=O)c3c(N)nc(C)nc32)[C@H](O)[C@@H]1O.CCOP(=O)(COC)COC[C@@H]1C=C[C@H](n2cc(C(N)=O)c3c(N)nc(C)nc32)O1.CCOP(=O)(C[C@H]1O[C@@H](n2cc(C(N)=O)c3c(N)nc(C)nc32)[C@H](O)[C@@H]1O)OCC.Cc1nc(N)c2c(C(N)=O)cn([C@@H]3O[C@H](CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.Cc1nc(N)c2c(C(N)=O)cn([C@@H]3O[C@H](OCP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1
• InChI: InChI=1S/C32H56N5O9P.C18H26N5O6P.C17H26N5O7P.C13H18N5O8P.C13H18N5O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-43-19-17-20-44-47(41,42)45-22-25-27(38)28(39)32(46-25)37-21-24(30(34)40)26-29(33)35-23(2)36-31(26)37;1-4-28-30(25,9-26-3)10-27-8-12-5-6-14(29-12)23-7-13(17(20)24)15-16(19)21-11(2)22-18(15)23;1-4-27-30(26,28-5-2)7-10-12(23)13(24)17(29-10)22-6-9(15(19)25)11-14(18)20-8(3)21-16(11)22;1-4-16-9(14)6-5(10(15)21)2-18(11(6)17-4)12-7(19)8(20)13(26-12)25-3-27(22,23)24;1-4-16-10(14)7-5(11(15)21)2-18(12(7)17-4)13-9(20)8(19)6(25-13)3-26(22,23)24/h21,25,27-28,32,38-39H,3-20,22H2,1-2H3,(H2,34,40)(H,41,42)(H2,33,35,36);5-7,12,14H,4,8-10H2,1-3H3,(H2,20,24)(H2,19,21,22);6,10,12-13,17,23-24H,4-5,7H2,1-3H3,(H2,19,25)(H2,18,20,21);2,7-8,12-13,19-20H,3H2,1H3,(H2,15,21)(H2,14,16,17)(H2,22,23,24);2,6,8-9,13,19-20H,3H2,1H3,(H2,15,21)(H2,14,16,17)(H2,22,23,24)/t25-,27-,28-,32-;12-,14+,30?;10-,12-,13-,17-;7-,8+,12-,13+;6-,8-,9-,13-/m10111/s1
• InChIKey: IZEQJJULYMHOQJ-DJYGTZAUSA-N
• XLogP: 3.50
• TPSA: 976.66 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 52
• Rotatable Bonds: 52
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2359.18
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2S,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylphosphonic acid;[(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]oxymethylphosphonic acid;4-amino-7-[(2R,3R,4S,5S)-5-(diethoxyphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-7-[(2R,5S)-5-[[ethoxy(methoxymethyl)phosphoryl]methoxymethyl]-2,5-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide?

The IUPAC name of [(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2S,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylphosphonic acid;[(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]oxymethylphosphonic acid;4-amino-7-[(2R,3R,4S,5S)-5-(diethoxyphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-7-[(2R,5S)-5-[[ethoxy(methoxymethyl)phosphoryl]methoxymethyl]-2,5-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 163666831) is [(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2S,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylphosphonic acid;[(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]oxymethylphosphonic acid;4-amino-7-[(2R,3R,4S,5S)-5-(diethoxyphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-7-[(2R,5S)-5-[[ethoxy(methoxymethyl)phosphoryl]methoxymethyl]-2,5-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide.

What is the SMILES notation for [(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2S,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylphosphonic acid;[(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]oxymethylphosphonic acid;4-amino-7-[(2R,3R,4S,5S)-5-(diethoxyphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-7-[(2R,5S)-5-[[ethoxy(methoxymethyl)phosphoryl]methoxymethyl]-2,5-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide?

The canonical SMILES for [(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2S,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylphosphonic acid;[(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]oxymethylphosphonic acid;4-amino-7-[(2R,3R,4S,5S)-5-(diethoxyphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-7-[(2R,5S)-5-[[ethoxy(methoxymethyl)phosphoryl]methoxymethyl]-2,5-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide is CCCCCCCCCCCCCCCCOCCCOP(=O)(O)OC[C@H]1O[C@@H](n2cc(C(N)=O)c3c(N)nc(C)nc32)[C@H](O)[C@@H]1O.CCOP(=O)(COC)COC[C@@H]1C=C[C@H](n2cc(C(N)=O)c3c(N)nc(C)nc32)O1.CCOP(=O)(C[C@H]1O[C@@H](n2cc(C(N)=O)c3c(N)nc(C)nc32)[C@H](O)[C@@H]1O)OCC.Cc1nc(N)c2c(C(N)=O)cn([C@@H]3O[C@H](CP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.Cc1nc(N)c2c(C(N)=O)cn([C@@H]3O[C@H](OCP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.

What is the InChIKey of [(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2S,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylphosphonic acid;[(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]oxymethylphosphonic acid;4-amino-7-[(2R,3R,4S,5S)-5-(diethoxyphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-7-[(2R,5S)-5-[[ethoxy(methoxymethyl)phosphoryl]methoxymethyl]-2,5-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide?

The InChIKey is IZEQJJULYMHOQJ-DJYGTZAUSA-N. The full InChI is InChI=1S/C32H56N5O9P.C18H26N5O6P.C17H26N5O7P.C13H18N5O8P.C13H18N5O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-43-19-17-20-44-47(41,42)45-22-25-27(38)28(39)32(46-25)37-21-24(30(34)40)26-29(33)35-23(2)36-31(26)37;1-4-28-30(25,9-26-3)10-27-8-12-5-6-14(29-12)23-7-13(17(20)24)15-16(19)21-11(2)22-18(15)23;1-4-27-30(26,28-5-2)7-10-12(23)13(24)17(29-10)22-6-9(15(19)25)11-14(18)20-8(3)21-16(11)22;1-4-16-9(14)6-5(10(15)21)2-18(11(6)17-4)12-7(19)8(20)13(26-12)25-3-27(22,23)24;1-4-16-10(14)7-5(11(15)21)2-18(12(7)17-4)13-9(20)8(19)6(25-13)3-26(22,23)24/h21,25,27-28,32,38-39H,3-20,22H2,1-2H3,(H2,34,40)(H,41,42)(H2,33,35,36);5-7,12,14H,4,8-10H2,1-3H3,(H2,20,24)(H2,19,21,22);6,10,12-13,17,23-24H,4-5,7H2,1-3H3,(H2,19,25)(H2,18,20,21);2,7-8,12-13,19-20H,3H2,1H3,(H2,15,21)(H2,14,16,17)(H2,22,23,24);2,6,8-9,13,19-20H,3H2,1H3,(H2,15,21)(H2,14,16,17)(H2,22,23,24)/t25-,27-,28-,32-;12-,14+,30?;10-,12-,13-,17-;7-,8+,12-,13+;6-,8-,9-,13-/m10111/s1.

What are the key properties of [(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2S,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylphosphonic acid;[(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]oxymethylphosphonic acid;4-amino-7-[(2R,3R,4S,5S)-5-(diethoxyphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-7-[(2R,5S)-5-[[ethoxy(methoxymethyl)phosphoryl]methoxymethyl]-2,5-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide?

[(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2S,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylphosphonic acid;[(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]oxymethylphosphonic acid;4-amino-7-[(2R,3R,4S,5S)-5-(diethoxyphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-7-[(2R,5S)-5-[[ethoxy(methoxymethyl)phosphoryl]methoxymethyl]-2,5-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 2359.18 g/mol, XLogP of 3.50, 52 rotatable bonds, 23 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2S,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylphosphonic acid;[(2R,3S,4R,5R)-5-(4-amino-5-carbamoyl-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]oxymethylphosphonic acid;4-amino-7-[(2R,3R,4S,5S)-5-(diethoxyphosphorylmethyl)-3,4-dihydroxyoxolan-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide;4-amino-7-[(2R,5S)-5-[[ethoxy(methoxymethyl)phosphoryl]methoxymethyl]-2,5-dihydrofuran-2-yl]-2-methylpyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 163666831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).