2-cyanoethyl [(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl phosphite;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl 2-isocyanoethyl phosphate;3-[[di(propan-2-yl)amino]-(3-hexadecoxypropoxy)phosphanyl]oxypropanenitrile;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;2-hydroperoxy-2-methylpropane;2H-tetrazole

C140H248F4N12O36P4 — CID 158862992

About 2-cyanoethyl [(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl phosphite;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl 2-isocyanoethyl phosphate;3-[[di(propan-2-yl)amino]-(3-hexadecoxypropoxy)phosphanyl]oxypropanenitrile;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;2-hydroperoxy-2-methylpropane;2H-tetrazole

2-cyanoethyl [(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl phosphite;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl 2-isocyanoethyl phosphate;3-[[di(propan-2-yl)amino]-(3-hexadecoxypropoxy)phosphanyl]oxypropanenitrile;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;2-hydroperoxy-2-methylpropane;2H-tetrazole (PubChem CID 158862992) has the molecular formula C140H248F4N12O36P4 and a molecular weight of 2875.46 g/mol. Its IUPAC name is 2-cyanoethyl [(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl phosphite;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl 2-isocyanoethyl phosphate;3-[[di(propan-2-yl)amino]-(3-hexadecoxypropoxy)phosphanyl]oxypropanenitrile;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;2-hydroperoxy-2-methylpropane;2H-tetrazole.

Molecular Properties

• Compound Name: 2-cyanoethyl [(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl phosphite;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl 2-isocyanoethyl phosphate;3-[[di(propan-2-yl)amino]-(3-hexadecoxypropoxy)phosphanyl]oxypropanenitrile;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;2-hydroperoxy-2-methylpropane;2H-tetrazole
• PubChem CID: 158862992
• Molecular Formula: C140H248F4N12O36P4
• Molecular Weight: 2875.46 g/mol
• Exact Mass: 2873.68
• IUPAC Name: 2-cyanoethyl [(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl phosphite;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl 2-isocyanoethyl phosphate;3-[[di(propan-2-yl)amino]-(3-hexadecoxypropoxy)phosphanyl]oxypropanenitrile;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;2-hydroperoxy-2-methylpropane;2H-tetrazole
• SMILES: CC(C)(C)OO.CCCCCCCCCCCCCCCCOCCCOP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)CC2=O)[C@](C)(F)[C@@H]1O.CCCCCCCCCCCCCCCCOCCCOP(OCCC#N)N(C(C)C)C(C)C.CCCCCCCCCCCCCCCCOCCCOP(OCCC#N)OC[C@H]1O[C@@H](N2C=CC(=O)CC2=O)[C@](C)(F)[C@@H]1O.C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1N1C=CC(=O)CC1=O.[C-]#[N+]CCOP(=O)(OCCCOCCCCCCCCCCCCCCCC)OC[C@H]1O[C@@H](N2C=CC(=O)CC2=O)[C@](C)(F)[C@@H]1O.c1nn[nH]n1
• InChI: InChI=1S/C33H56FN2O9P.C33H56FN2O8P.C30H53FNO9P.C28H57N2O3P.C11H14FNO5.C4H10O2.CH2N4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-41-23-18-24-42-46(40,43-25-20-35-3)44-27-29-31(39)33(2,34)32(45-29)36-21-19-28(37)26-30(36)38;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-40-23-18-25-42-45(41-24-17-20-35)43-27-29-31(39)33(2,34)32(44-29)36-21-19-28(37)26-30(36)38;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-38-21-17-22-39-42(36,37)40-24-26-28(35)30(2,31)29(41-26)32-19-18-25(33)23-27(32)34;1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-31-24-21-26-33-34(32-25-20-22-29)30(27(2)3)28(4)5;1-11(12)9(17)7(5-14)18-10(11)13-3-2-6(15)4-8(13)16;1-4(2,3)6-5;1-2-4-5-3-1/h19,21,29,31-32,39H,4-18,20,22-27H2,1-2H3;19,21,29,31-32,39H,3-18,22-27H2,1-2H3;18-19,26,28-29,35H,3-17,20-24H2,1-2H3,(H,36,37);27-28H,6-21,23-26H2,1-5H3;2-3,7,9-10,14,17H,4-5H2,1H3;5H,1-3H3;1H,(H,2,3,4,5)/t29-,31-,32-,33-,46?;29-,31-,32-,33-,45?;26-,28-,29-,30-;;7-,9-,10-,11-;;/m111.1../s1
• InChIKey: JAWMXKUFMNFCPP-PYKPMUHFSA-N
• XLogP: 29.16
• TPSA: 610.28 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 41
• Rotatable Bonds: 106
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2875.46
LogP ≤ 5	29.16
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-cyanoethyl [(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl phosphite;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl 2-isocyanoethyl phosphate;3-[[di(propan-2-yl)amino]-(3-hexadecoxypropoxy)phosphanyl]oxypropanenitrile;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;2-hydroperoxy-2-methylpropane;2H-tetrazole?

The IUPAC name of 2-cyanoethyl [(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl phosphite;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl 2-isocyanoethyl phosphate;3-[[di(propan-2-yl)amino]-(3-hexadecoxypropoxy)phosphanyl]oxypropanenitrile;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;2-hydroperoxy-2-methylpropane;2H-tetrazole (CID 158862992) is 2-cyanoethyl [(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl phosphite;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl 2-isocyanoethyl phosphate;3-[[di(propan-2-yl)amino]-(3-hexadecoxypropoxy)phosphanyl]oxypropanenitrile;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;2-hydroperoxy-2-methylpropane;2H-tetrazole.

What is the SMILES notation for 2-cyanoethyl [(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl phosphite;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl 2-isocyanoethyl phosphate;3-[[di(propan-2-yl)amino]-(3-hexadecoxypropoxy)phosphanyl]oxypropanenitrile;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;2-hydroperoxy-2-methylpropane;2H-tetrazole?

The canonical SMILES for 2-cyanoethyl [(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl phosphite;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl 2-isocyanoethyl phosphate;3-[[di(propan-2-yl)amino]-(3-hexadecoxypropoxy)phosphanyl]oxypropanenitrile;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;2-hydroperoxy-2-methylpropane;2H-tetrazole is CC(C)(C)OO.CCCCCCCCCCCCCCCCOCCCOP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(=O)CC2=O)[C@](C)(F)[C@@H]1O.CCCCCCCCCCCCCCCCOCCCOP(OCCC#N)N(C(C)C)C(C)C.CCCCCCCCCCCCCCCCOCCCOP(OCCC#N)OC[C@H]1O[C@@H](N2C=CC(=O)CC2=O)[C@](C)(F)[C@@H]1O.C[C@@]1(F)[C@H](O)[C@@H](CO)O[C@H]1N1C=CC(=O)CC1=O.[C-]#[N+]CCOP(=O)(OCCCOCCCCCCCCCCCCCCCC)OC[C@H]1O[C@@H](N2C=CC(=O)CC2=O)[C@](C)(F)[C@@H]1O.c1nn[nH]n1.

What is the InChIKey of 2-cyanoethyl [(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl phosphite;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl 2-isocyanoethyl phosphate;3-[[di(propan-2-yl)amino]-(3-hexadecoxypropoxy)phosphanyl]oxypropanenitrile;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;2-hydroperoxy-2-methylpropane;2H-tetrazole?

The InChIKey is JAWMXKUFMNFCPP-PYKPMUHFSA-N. The full InChI is InChI=1S/C33H56FN2O9P.C33H56FN2O8P.C30H53FNO9P.C28H57N2O3P.C11H14FNO5.C4H10O2.CH2N4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-41-23-18-24-42-46(40,43-25-20-35-3)44-27-29-31(39)33(2,34)32(45-29)36-21-19-28(37)26-30(36)38;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-40-23-18-25-42-45(41-24-17-20-35)43-27-29-31(39)33(2,34)32(44-29)36-21-19-28(37)26-30(36)38;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-38-21-17-22-39-42(36,37)40-24-26-28(35)30(2,31)29(41-26)32-19-18-25(33)23-27(32)34;1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-31-24-21-26-33-34(32-25-20-22-29)30(27(2)3)28(4)5;1-11(12)9(17)7(5-14)18-10(11)13-3-2-6(15)4-8(13)16;1-4(2,3)6-5;1-2-4-5-3-1/h19,21,29,31-32,39H,4-18,20,22-27H2,1-2H3;19,21,29,31-32,39H,3-18,22-27H2,1-2H3;18-19,26,28-29,35H,3-17,20-24H2,1-2H3,(H,36,37);27-28H,6-21,23-26H2,1-5H3;2-3,7,9-10,14,17H,4-5H2,1H3;5H,1-3H3;1H,(H,2,3,4,5)/t29-,31-,32-,33-,46?;29-,31-,32-,33-,45?;26-,28-,29-,30-;;7-,9-,10-,11-;;/m111.1../s1.

What are the key properties of 2-cyanoethyl [(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl phosphite;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl 2-isocyanoethyl phosphate;3-[[di(propan-2-yl)amino]-(3-hexadecoxypropoxy)phosphanyl]oxypropanenitrile;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;2-hydroperoxy-2-methylpropane;2H-tetrazole?

2-cyanoethyl [(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl phosphite;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl 2-isocyanoethyl phosphate;3-[[di(propan-2-yl)amino]-(3-hexadecoxypropoxy)phosphanyl]oxypropanenitrile;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;2-hydroperoxy-2-methylpropane;2H-tetrazole has a molecular weight of 2875.46 g/mol, XLogP of 29.16, 106 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyanoethyl [(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl phosphite;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl hydrogen phosphate;[(2R,3R,4R,5R)-5-(2,4-dioxo-1-pyridinyl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl 3-hexadecoxypropyl 2-isocyanoethyl phosphate;3-[[di(propan-2-yl)amino]-(3-hexadecoxypropoxy)phosphanyl]oxypropanenitrile;1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyridine-2,4-dione;2-hydroperoxy-2-methylpropane;2H-tetrazole is sourced from PubChem (CID 158862992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).