cyclopentyl 5-[[(2R,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;cyclopentyl 5-[[(2S,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;propan-2-yl 6-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]hexanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aR)-7-chloro-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate

C115H160ClN9O56P6 — CID 161118913

About cyclopentyl 5-[[(2R,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;cyclopentyl 5-[[(2S,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;propan-2-yl 6-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]hexanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aR)-7-chloro-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate

cyclopentyl 5-[[(2R,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;cyclopentyl 5-[[(2S,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;propan-2-yl 6-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]hexanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aR)-7-chloro-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate (PubChem CID 161118913) has the molecular formula C115H160ClN9O56P6 and a molecular weight of 2785.85 g/mol. Its IUPAC name is cyclopentyl 5-[[(2R,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;cyclopentyl 5-[[(2S,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;propan-2-yl 6-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]hexanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aR)-7-chloro-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate.

Molecular Properties

• Compound Name: cyclopentyl 5-[[(2R,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;cyclopentyl 5-[[(2S,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;propan-2-yl 6-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]hexanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aR)-7-chloro-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate
• PubChem CID: 161118913
• Molecular Formula: C115H160ClN9O56P6
• Molecular Weight: 2785.85 g/mol
• Exact Mass: 2783.81
• IUPAC Name: cyclopentyl 5-[[(2R,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;cyclopentyl 5-[[(2S,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;propan-2-yl 6-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]hexanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aR)-7-chloro-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate
• SMILES: C#C[C@@]1(O)[C@@H]2O[P@@](=O)(OCCCCC(=O)OC3CCCC3)OC[C@H]2O[C@H]1N1C=CC(=O)CC1=O.C#C[C@@]1(O)[C@@H]2O[P@](=O)(OCCCCC(=O)OC3CCCC3)OC[C@H]2O[C@H]1N1C=CC(=O)CC1=O.CC(C)OC(=O)CCCCCO[P@@]1(=O)OC[C@H]2O[C@@H](N3C=CC(=O)CC3=O)[C@](C)(N)[C@@H]2O1.CC(C)OC(=O)CCO[P@@]1(=O)OC[C@H]2O[C@@H](N3C=CC(=O)CC3=O)[C@](C)(N)[C@@H]2O1.CC(C)OC(=O)CCO[P@]1(=O)OC[C@H]2O[C@@H](N3C=CC(=O)CC3=O)[C@](C)(Cl)[C@@H]2O1.CC(C)OC(=O)CCO[P@]1(=O)OC[C@H]2O[C@@H](N3C=CC(=O)CC3=O)[C@](C)(N)[C@@H]2O1
• InChI: InChI=1S/2C22H28NO10P.C20H31N2O9P.C17H23ClNO9P.2C17H25N2O9P/c2*1-2-22(27)20-17(32-21(22)23-11-10-15(24)13-18(23)25)14-30-34(28,33-20)29-12-6-5-9-19(26)31-16-7-3-4-8-16;1-13(2)29-17(25)7-5-4-6-10-27-32(26)28-12-15-18(31-32)20(3,21)19(30-15)22-9-8-14(23)11-16(22)24;3*1-10(2)26-14(22)5-7-24-29(23)25-9-12-15(28-29)17(3,18)16(27-12)19-6-4-11(20)8-13(19)21/h2*1,10-11,16-17,20-21,27H,3-9,12-14H2;8-9,13,15,18-19H,4-7,10-12,21H2,1-3H3;4,6,10,12,15-16H,5,7-9H2,1-3H3;2*4,6,10,12,15-16H,5,7-9,18H2,1-3H3/t17-,20-,21-,22-,34+;17-,20-,21-,22-,34-;15-,18-,19-,20-,32+;12-,15-,16-,17-,29-;12-,15-,16-,17-,29+;12-,15-,16-,17-,29-/m111111/s1
• InChIKey: UKROFWAGDGJOKZ-PSSUZMAASA-N
• XLogP: 8.13
• TPSA: 824.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 59
• Rotatable Bonds: 43
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2785.85
LogP ≤ 5	8.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	59

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 5-[[(2R,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;cyclopentyl 5-[[(2S,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;propan-2-yl 6-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]hexanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aR)-7-chloro-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate?

The IUPAC name of cyclopentyl 5-[[(2R,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;cyclopentyl 5-[[(2S,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;propan-2-yl 6-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]hexanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aR)-7-chloro-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate (CID 161118913) is cyclopentyl 5-[[(2R,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;cyclopentyl 5-[[(2S,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;propan-2-yl 6-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]hexanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aR)-7-chloro-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate.

What is the SMILES notation for cyclopentyl 5-[[(2R,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;cyclopentyl 5-[[(2S,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;propan-2-yl 6-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]hexanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aR)-7-chloro-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate?

The canonical SMILES for cyclopentyl 5-[[(2R,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;cyclopentyl 5-[[(2S,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;propan-2-yl 6-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]hexanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aR)-7-chloro-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate is C#C[C@@]1(O)[C@@H]2O[P@@](=O)(OCCCCC(=O)OC3CCCC3)OC[C@H]2O[C@H]1N1C=CC(=O)CC1=O.C#C[C@@]1(O)[C@@H]2O[P@](=O)(OCCCCC(=O)OC3CCCC3)OC[C@H]2O[C@H]1N1C=CC(=O)CC1=O.CC(C)OC(=O)CCCCCO[P@@]1(=O)OC[C@H]2O[C@@H](N3C=CC(=O)CC3=O)[C@](C)(N)[C@@H]2O1.CC(C)OC(=O)CCO[P@@]1(=O)OC[C@H]2O[C@@H](N3C=CC(=O)CC3=O)[C@](C)(N)[C@@H]2O1.CC(C)OC(=O)CCO[P@]1(=O)OC[C@H]2O[C@@H](N3C=CC(=O)CC3=O)[C@](C)(Cl)[C@@H]2O1.CC(C)OC(=O)CCO[P@]1(=O)OC[C@H]2O[C@@H](N3C=CC(=O)CC3=O)[C@](C)(N)[C@@H]2O1.

What is the InChIKey of cyclopentyl 5-[[(2R,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;cyclopentyl 5-[[(2S,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;propan-2-yl 6-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]hexanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aR)-7-chloro-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate?

The InChIKey is UKROFWAGDGJOKZ-PSSUZMAASA-N. The full InChI is InChI=1S/2C22H28NO10P.C20H31N2O9P.C17H23ClNO9P.2C17H25N2O9P/c2*1-2-22(27)20-17(32-21(22)23-11-10-15(24)13-18(23)25)14-30-34(28,33-20)29-12-6-5-9-19(26)31-16-7-3-4-8-16;1-13(2)29-17(25)7-5-4-6-10-27-32(26)28-12-15-18(31-32)20(3,21)19(30-15)22-9-8-14(23)11-16(22)24;3*1-10(2)26-14(22)5-7-24-29(23)25-9-12-15(28-29)17(3,18)16(27-12)19-6-4-11(20)8-13(19)21/h2*1,10-11,16-17,20-21,27H,3-9,12-14H2;8-9,13,15,18-19H,4-7,10-12,21H2,1-3H3;4,6,10,12,15-16H,5,7-9H2,1-3H3;2*4,6,10,12,15-16H,5,7-9,18H2,1-3H3/t17-,20-,21-,22-,34+;17-,20-,21-,22-,34-;15-,18-,19-,20-,32+;12-,15-,16-,17-,29-;12-,15-,16-,17-,29+;12-,15-,16-,17-,29-/m111111/s1.

What are the key properties of cyclopentyl 5-[[(2R,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;cyclopentyl 5-[[(2S,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;propan-2-yl 6-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]hexanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aR)-7-chloro-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate?

cyclopentyl 5-[[(2R,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;cyclopentyl 5-[[(2S,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;propan-2-yl 6-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]hexanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aR)-7-chloro-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate has a molecular weight of 2785.85 g/mol, XLogP of 8.13, 43 rotatable bonds, 5 hydrogen bond donors, and 59 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl 5-[[(2R,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;cyclopentyl 5-[[(2S,4aR,6R,7R,7aR)-6-(2,4-dioxo-1-pyridinyl)-7-ethynyl-7-hydroxy-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]pentanoate;propan-2-yl 6-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]hexanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2S,4aR,6R,7R,7aS)-7-amino-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate;propan-2-yl 3-[[(2R,4aR,6R,7R,7aR)-7-chloro-6-(2,4-dioxo-1-pyridinyl)-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxy]propanoate is sourced from PubChem (CID 161118913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).