[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid

C86H134F7O33P7 — CID 167642670

IUPAC[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid
SMILES[2H]/C(=C\P(=O)(O)CO)[C@H]1OC[C@H](F)[C@@H]1OC(C)C.[2H]/C(=C\P(=O)(O)CO)[C@H]1O[C@@H](c2ccccc2)[C@H](F)[C@@H]1OC(C)C.[2H]/C(=C\P(=O)(O)O)[C@H]1OC[C@H](F)[C@@H]1OC(C)C.[2H]/C(=C\P(=O)(O)O)[C@H]1O[C@@H](c2ccccc2)[C@H](F)[C@@H]1OC(C)C.[2H]/C(=C\P(C)(=O)O)[C@H]1O[C@@H](c2ccccc2)[C@H](F)[C@@H]1OC(C)C.[2H]/C(=C\[C@H]1OC[C@H](F)[C@@H]1OC(C)C)P(=O)(O)CO.[2H]/C(=C\[C@H]1OC[C@H](F)[C@@H]1OC(C)C)P(C)(=O)O
InChIInChI=1S/C16H22FO5P.C16H22FO4P.C15H20FO5P.2C10H18FO5P.C10H18FO4P.C9H16FO5P/c1-11(2)21-16-13(8-9-23(19,20)10-18)22-15(14(16)17)12-6-4-3-5-7-12;1-11(2)20-16-13(9-10-22(3,18)19)21-15(14(16)17)12-7-5-4-6-8-12;1-10(2)20-15-12(8-9-22(17,18)19)21-14(13(15)16)11-6-4-3-5-7-11;2*1-7(2)16-10-8(11)5-15-9(10)3-4-17(13,14)6-12;1-7(2)15-10-8(11)6-14-9(10)4-5-16(3,12)13;1-6(2)15-9-7(10)5-14-8(9)3-4-16(11,12)13/h3-9,11,13-16,18H,10H2,1-2H3,(H,19,20);4-11,13-16H,1-3H3,(H,18,19);3-10,12-15H,1-2H3,(H2,17,18,19);2*3-4,7-10,12H,5-6H2,1-2H3,(H,13,14);4-5,7-10H,6H2,1-3H3,(H,12,13);3-4,6-9H,5H2,1-2H3,(H2,11,12,13)/b9-8+;10-9+;9-8+;2*4-3+;5-4+;4-3+/t2*13-,14+,15+,16-;12-,13+,14+,15-;3*8-,9+,10-;7-,8+,9-/m1110000/s1/i8D;9D;8D;4D;3D;5D;3D
InChIKeyPJTDNBQBYDBDKG-ZAWKWBEASA-N
MW2052.83 g/mol
LogP15.25
Rot. Bonds34

About [(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid

[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid (PubChem CID 167642670) has the molecular formula C86H134F7O33P7 and a molecular weight of 2052.83 g/mol. Its IUPAC name is [(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid.

Molecular Properties

Compound Name[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid
PubChem CID167642670
Molecular FormulaC86H134F7O33P7
Molecular Weight2052.83 g/mol
Exact Mass2051.73
IUPAC Name[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid
SMILES[2H]/C(=C\P(=O)(O)CO)[C@H]1OC[C@H](F)[C@@H]1OC(C)C.[2H]/C(=C\P(=O)(O)CO)[C@H]1O[C@@H](c2ccccc2)[C@H](F)[C@@H]1OC(C)C.[2H]/C(=C\P(=O)(O)O)[C@H]1OC[C@H](F)[C@@H]1OC(C)C.[2H]/C(=C\P(=O)(O)O)[C@H]1O[C@@H](c2ccccc2)[C@H](F)[C@@H]1OC(C)C.[2H]/C(=C\P(C)(=O)O)[C@H]1O[C@@H](c2ccccc2)[C@H](F)[C@@H]1OC(C)C.[2H]/C(=C\[C@H]1OC[C@H](F)[C@@H]1OC(C)C)P(=O)(O)CO.[2H]/C(=C\[C@H]1OC[C@H](F)[C@@H]1OC(C)C)P(C)(=O)O
InChIInChI=1S/C16H22FO5P.C16H22FO4P.C15H20FO5P.2C10H18FO5P.C10H18FO4P.C9H16FO5P/c1-11(2)21-16-13(8-9-23(19,20)10-18)22-15(14(16)17)12-6-4-3-5-7-12;1-11(2)20-16-13(9-10-22(3,18)19)21-15(14(16)17)12-7-5-4-6-8-12;1-10(2)20-15-12(8-9-22(17,18)19)21-14(13(15)16)11-6-4-3-5-7-11;2*1-7(2)16-10-8(11)5-15-9(10)3-4-17(13,14)6-12;1-7(2)15-10-8(11)6-14-9(10)4-5-16(3,12)13;1-6(2)15-9-7(10)5-14-8(9)3-4-16(11,12)13/h3-9,11,13-16,18H,10H2,1-2H3,(H,19,20);4-11,13-16H,1-3H3,(H,18,19);3-10,12-15H,1-2H3,(H2,17,18,19);2*3-4,7-10,12H,5-6H2,1-2H3,(H,13,14);4-5,7-10H,6H2,1-3H3,(H,12,13);3-4,6-9H,5H2,1-2H3,(H2,11,12,13)/b9-8+;10-9+;9-8+;2*4-3+;5-4+;4-3+/t2*13-,14+,15+,16-;12-,13+,14+,15-;3*8-,9+,10-;7-,8+,9-/m1110000/s1/i8D;9D;8D;4D;3D;5D;3D
InChIKeyPJTDNBQBYDBDKG-ZAWKWBEASA-N
XLogP15.25
TPSA491.47 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds34
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002052.83
LogP ≤ 515.25
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze [(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid with MolForge

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Launch Full Analysis

Related Compounds

[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-1-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid
CID 164947530
[(E)-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid
CID 164947524
[(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
formyl-[(E)-2-[(2R,3R,4S,5S)-4-methoxy-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphinic acid
CID 174069662
[(E)-2-[(2R,3S,5R)-4-[2-(methylamino)-2-oxoethoxy]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid
CID 167351540
2-methyl-1-[(2R,3R)-3-phenyloxiran-2-yl]butan-1-one
CID 14288141
(2S,3R,4R,5S)-2-[(E)-2-[bis(2-methoxypropan-2-yloxy)phosphoryl]ethenyl]-4-methoxy-3-methyl-5-phenyloxolane
CID 167606766
methyl (E)-3-[(2S,3S)-3-phenyloxiran-2-yl]prop-2-enoate
CID 11041861
[(E)-2-[3-hydroxy-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]ethenyl]phosphonic acid
CID 146367072
(2S,3R,4S,5E,7E)-2,4,6-trimethyl-8-[(2R,4S,5R)-5-methyl-2-phenyl-1,3-dioxan-4-yl]-1-phenylmethoxyocta-5,7-dien-3-ol
CID 101373104
(1R,3R)-3-methyl-1-[(2R,3R)-3-phenyloxiran-2-yl]pent-4-en-1-ol
CID 46863006
[(2R,3R,4S,5S)-3,4-dimethoxy-5-phenyloxolan-2-yl]methanol
CID 156513644

Frequently Asked Questions

What is the IUPAC name of [(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid?
The IUPAC name of [(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid (CID 167642670) is [(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid.
What is the SMILES notation for [(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid?
The canonical SMILES for [(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid is [2H]/C(=C\P(=O)(O)CO)[C@H]1OC[C@H](F)[C@@H]1OC(C)C.[2H]/C(=C\P(=O)(O)CO)[C@H]1O[C@@H](c2ccccc2)[C@H](F)[C@@H]1OC(C)C.[2H]/C(=C\P(=O)(O)O)[C@H]1OC[C@H](F)[C@@H]1OC(C)C.[2H]/C(=C\P(=O)(O)O)[C@H]1O[C@@H](c2ccccc2)[C@H](F)[C@@H]1OC(C)C.[2H]/C(=C\P(C)(=O)O)[C@H]1O[C@@H](c2ccccc2)[C@H](F)[C@@H]1OC(C)C.[2H]/C(=C\[C@H]1OC[C@H](F)[C@@H]1OC(C)C)P(=O)(O)CO.[2H]/C(=C\[C@H]1OC[C@H](F)[C@@H]1OC(C)C)P(C)(=O)O.
What is the InChIKey of [(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid?
The InChIKey is PJTDNBQBYDBDKG-ZAWKWBEASA-N. The full InChI is InChI=1S/C16H22FO5P.C16H22FO4P.C15H20FO5P.2C10H18FO5P.C10H18FO4P.C9H16FO5P/c1-11(2)21-16-13(8-9-23(19,20)10-18)22-15(14(16)17)12-6-4-3-5-7-12;1-11(2)20-16-13(9-10-22(3,18)19)21-15(14(16)17)12-7-5-4-6-8-12;1-10(2)20-15-12(8-9-22(17,18)19)21-14(13(15)16)11-6-4-3-5-7-11;2*1-7(2)16-10-8(11)5-15-9(10)3-4-17(13,14)6-12;1-7(2)15-10-8(11)6-14-9(10)4-5-16(3,12)13;1-6(2)15-9-7(10)5-14-8(9)3-4-16(11,12)13/h3-9,11,13-16,18H,10H2,1-2H3,(H,19,20);4-11,13-16H,1-3H3,(H,18,19);3-10,12-15H,1-2H3,(H2,17,18,19);2*3-4,7-10,12H,5-6H2,1-2H3,(H,13,14);4-5,7-10H,6H2,1-3H3,(H,12,13);3-4,6-9H,5H2,1-2H3,(H2,11,12,13)/b9-8+;10-9+;9-8+;2*4-3+;5-4+;4-3+/t2*13-,14+,15+,16-;12-,13+,14+,15-;3*8-,9+,10-;7-,8+,9-/m1110000/s1/i8D;9D;8D;4D;3D;5D;3D.
What are the key properties of [(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid?
[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid has a molecular weight of 2052.83 g/mol, XLogP of 15.25, 34 rotatable bonds, 12 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-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S,5S)-4-fluoro-5-phenyl-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-(hydroxymethyl)phosphinic acid;[(E)-1-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]-methylphosphinic acid;[(E)-2-deuterio-2-[(2R,3R,4S)-4-fluoro-3-propan-2-yloxyoxolan-2-yl]ethenyl]phosphonic acid is sourced from PubChem (CID 167642670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).