[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(3R,5R,6R,7S)-5-(2,4-dioxopyrimidin-1-yl)-6-methoxy-7-propan-2-yloxy-4-oxaspiro[2.4]heptan-2-yl]methylphosphonic acid

C64H109N2O30P5 — CID 165033531

About [(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(3R,5R,6R,7S)-5-(2,4-dioxopyrimidin-1-yl)-6-methoxy-7-propan-2-yloxy-4-oxaspiro[2.4]heptan-2-yl]methylphosphonic acid

[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(3R,5R,6R,7S)-5-(2,4-dioxopyrimidin-1-yl)-6-methoxy-7-propan-2-yloxy-4-oxaspiro[2.4]heptan-2-yl]methylphosphonic acid (PubChem CID 165033531) has the molecular formula C64H109N2O30P5 and a molecular weight of 1545.45 g/mol. Its IUPAC name is [(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(3R,5R,6R,7S)-5-(2,4-dioxopyrimidin-1-yl)-6-methoxy-7-propan-2-yloxy-4-oxaspiro[2.4]heptan-2-yl]methylphosphonic acid.

Molecular Properties

• Compound Name: [(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(3R,5R,6R,7S)-5-(2,4-dioxopyrimidin-1-yl)-6-methoxy-7-propan-2-yloxy-4-oxaspiro[2.4]heptan-2-yl]methylphosphonic acid
• PubChem CID: 165033531
• Molecular Formula: C64H109N2O30P5
• Molecular Weight: 1545.45 g/mol
• Exact Mass: 1544.60
• IUPAC Name: [(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(3R,5R,6R,7S)-5-(2,4-dioxopyrimidin-1-yl)-6-methoxy-7-propan-2-yloxy-4-oxaspiro[2.4]heptan-2-yl]methylphosphonic acid
• SMILES: CO[C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@@]2(CC2CP(=O)(O)O)[C@H]1OC(C)C.[2H]/C(=C\P(=O)(O)CO)[C@H]1OC[C@H](OC)[C@@H]1OC(C)C.[2H]/C(=C\P(=O)(O)O)[C@H]1OC[C@H](OC)[C@@H]1OC(C)C.[2H]/C(=C\P(C)(=O)O)[C@H]1OC[C@H](OC)[C@@H]1OC(C)C.[2H]/C(=C\P(C)(=O)O)[C@H]1O[C@@H](c2ccccc2)[C@H](OC)[C@@H]1OC(C)C
• InChI: InChI=1S/C17H25O5P.C15H23N2O8P.C11H21O6P.C11H21O5P.C10H19O6P/c1-12(2)21-16-14(10-11-23(4,18)19)22-15(17(16)20-3)13-8-6-5-7-9-13;1-8(2)24-12-11(23-3)13(17-5-4-10(18)16-14(17)19)25-15(12)6-9(15)7-26(20,21)22;1-8(2)17-11-9(16-6-10(11)15-3)4-5-18(13,14)7-12;1-8(2)16-11-9(5-6-17(4,12)13)15-7-10(11)14-3;1-7(2)16-10-8(4-5-17(11,12)13)15-6-9(10)14-3/h5-12,14-17H,1-4H3,(H,18,19);4-5,8-9,11-13H,6-7H2,1-3H3,(H,16,18,19)(H2,20,21,22);4-5,8-12H,6-7H2,1-3H3,(H,13,14);5-6,8-11H,7H2,1-4H3,(H,12,13);4-5,7-10H,6H2,1-3H3,(H2,11,12,13)/b11-10+;;5-4+;6-5+;5-4+/t14-,15+,16-,17+;9?,11-,12+,13-,15-;2*9-,10+,11-;8-,9+,10-/m11111/s1/i10D;;4D;5D;4D
• InChIKey: NAKYXTFHKKGEFI-MOKHCFHRSA-N
• XLogP: 6.58
• TPSA: 440.50 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1545.45
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(3R,5R,6R,7S)-5-(2,4-dioxopyrimidin-1-yl)-6-methoxy-7-propan-2-yloxy-4-oxaspiro[2.4]heptan-2-yl]methylphosphonic acid?

The IUPAC name of [(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(3R,5R,6R,7S)-5-(2,4-dioxopyrimidin-1-yl)-6-methoxy-7-propan-2-yloxy-4-oxaspiro[2.4]heptan-2-yl]methylphosphonic acid (CID 165033531) is [(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(3R,5R,6R,7S)-5-(2,4-dioxopyrimidin-1-yl)-6-methoxy-7-propan-2-yloxy-4-oxaspiro[2.4]heptan-2-yl]methylphosphonic acid.

What is the SMILES notation for [(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(3R,5R,6R,7S)-5-(2,4-dioxopyrimidin-1-yl)-6-methoxy-7-propan-2-yloxy-4-oxaspiro[2.4]heptan-2-yl]methylphosphonic acid?

The canonical SMILES for [(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(3R,5R,6R,7S)-5-(2,4-dioxopyrimidin-1-yl)-6-methoxy-7-propan-2-yloxy-4-oxaspiro[2.4]heptan-2-yl]methylphosphonic acid is CO[C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@@]2(CC2CP(=O)(O)O)[C@H]1OC(C)C.[2H]/C(=C\P(=O)(O)CO)[C@H]1OC[C@H](OC)[C@@H]1OC(C)C.[2H]/C(=C\P(=O)(O)O)[C@H]1OC[C@H](OC)[C@@H]1OC(C)C.[2H]/C(=C\P(C)(=O)O)[C@H]1OC[C@H](OC)[C@@H]1OC(C)C.[2H]/C(=C\P(C)(=O)O)[C@H]1O[C@@H](c2ccccc2)[C@H](OC)[C@@H]1OC(C)C.

What is the InChIKey of [(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(3R,5R,6R,7S)-5-(2,4-dioxopyrimidin-1-yl)-6-methoxy-7-propan-2-yloxy-4-oxaspiro[2.4]heptan-2-yl]methylphosphonic acid?

The InChIKey is NAKYXTFHKKGEFI-MOKHCFHRSA-N. The full InChI is InChI=1S/C17H25O5P.C15H23N2O8P.C11H21O6P.C11H21O5P.C10H19O6P/c1-12(2)21-16-14(10-11-23(4,18)19)22-15(17(16)20-3)13-8-6-5-7-9-13;1-8(2)24-12-11(23-3)13(17-5-4-10(18)16-14(17)19)25-15(12)6-9(15)7-26(20,21)22;1-8(2)17-11-9(16-6-10(11)15-3)4-5-18(13,14)7-12;1-8(2)16-11-9(5-6-17(4,12)13)15-7-10(11)14-3;1-7(2)16-10-8(4-5-17(11,12)13)15-6-9(10)14-3/h5-12,14-17H,1-4H3,(H,18,19);4-5,8-9,11-13H,6-7H2,1-3H3,(H,16,18,19)(H2,20,21,22);4-5,8-12H,6-7H2,1-3H3,(H,13,14);5-6,8-11H,7H2,1-4H3,(H,12,13);4-5,7-10H,6H2,1-3H3,(H2,11,12,13)/b11-10+;;5-4+;6-5+;5-4+/t14-,15+,16-,17+;9?,11-,12+,13-,15-;2*9-,10+,11-;8-,9+,10-/m11111/s1/i10D;;4D;5D;4D.

What are the key properties of [(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(3R,5R,6R,7S)-5-(2,4-dioxopyrimidin-1-yl)-6-methoxy-7-propan-2-yloxy-4-oxaspiro[2.4]heptan-2-yl]methylphosphonic acid?

[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(3R,5R,6R,7S)-5-(2,4-dioxopyrimidin-1-yl)-6-methoxy-7-propan-2-yloxy-4-oxaspiro[2.4]heptan-2-yl]methylphosphonic acid has a molecular weight of 1545.45 g/mol, XLogP of 6.58, 28 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-methoxy-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(3R,5R,6R,7S)-5-(2,4-dioxopyrimidin-1-yl)-6-methoxy-7-propan-2-yloxy-4-oxaspiro[2.4]heptan-2-yl]methylphosphonic acid is sourced from PubChem (CID 165033531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).