1-[(3R,5R)-4-[2-[(3R,5R)-1-acetyl-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]ethanone;tert-butyl (3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane-1-carboxylate;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinane;(3S,5S)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine;1-[(3R,5R)-4-[2-[(3R,5R)-1-(2,2-dimethylpropanoyl)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]-2,2-dimethylpropan-1-one

C148H223N11O14P10S3 — CID 158942473

IUPAC1-[(3R,5R)-4-[2-[(3R,5R)-1-acetyl-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]ethanone;tert-butyl (3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane-1-carboxylate;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinane;(3S,5S)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine;1-[(3R,5R)-4-[2-[(3R,5R)-1-(2,2-dimethylpropanoyl)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(=O)N1C[C@@H](C)P(c2ccccc2P2[C@H](C)CN(C(C)=O)C[C@H]2C)[C@H](C)C1.C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)P1c1ccccc1P1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C.C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)P1c1ccccc1P1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]1C.C[C@@H]1CNC[C@@H](C)P1c1ccccc1P1[C@H](C)CNC[C@H]1C.Cc1ccc(S(=O)(=O)N2C[C@@H](C)C(c3ccccc3)[C@H](C)C2)cc1.Cc1ccc(S(=O)(=O)N2C[C@@H](C)P(c3ccccc3P3[C@H](C)CN(S(=O)(=O)c4ccc(C)cc4)C[C@H]3C)[C@H](C)C2)cc1
InChIInChI=1S/C32H42N2O4P2S2.C28H46N2O4P2.C28H46N2O2P2.C22H34N2O2P2.C20H25NO2S.C18H30N2P2/c1-23-11-15-29(16-12-23)41(35,36)33-19-25(3)39(26(4)20-33)31-9-7-8-10-32(31)40-27(5)21-34(22-28(40)6)42(37,38)30-17-13-24(2)14-18-30;1-19-15-29(25(31)33-27(5,6)7)16-20(2)35(19)23-13-11-12-14-24(23)36-21(3)17-30(18-22(36)4)26(32)34-28(8,9)10;1-19-15-29(25(31)27(5,6)7)16-20(2)33(19)23-13-11-12-14-24(23)34-21(3)17-30(18-22(34)4)26(32)28(8,9)10;1-15-11-23(19(5)25)12-16(2)27(15)21-9-7-8-10-22(21)28-17(3)13-24(20(6)26)14-18(28)4;1-15-9-11-19(12-10-15)24(22,23)21-13-16(2)20(17(3)14-21)18-7-5-4-6-8-18;1-13-9-19-10-14(2)21(13)17-7-5-6-8-18(17)22-15(3)11-20-12-16(22)4/h7-18,25-28H,19-22H2,1-6H3;11-14,19-22H,15-18H2,1-10H3;11-14,19-22H,15-18H2,1-10H3;7-10,15-18H,11-14H2,1-6H3;4-12,16-17,20H,13-14H2,1-3H3;5-8,13-16,19-20H,9-12H2,1-4H3/t25-,26-,27-,28-;2*19-,20-,21-,22-;15-,16-,17-,18-;16-,17-;13-,14-,15-,16-/m111111/s1
InChIKeyJKKPUNINFLKKOB-YZUSHNFMSA-N
MW2786.42 g/mol
LogP26.56
Rot. Bonds17

About 1-[(3R,5R)-4-[2-[(3R,5R)-1-acetyl-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]ethanone;tert-butyl (3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane-1-carboxylate;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinane;(3S,5S)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine;1-[(3R,5R)-4-[2-[(3R,5R)-1-(2,2-dimethylpropanoyl)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]-2,2-dimethylpropan-1-one

1-[(3R,5R)-4-[2-[(3R,5R)-1-acetyl-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]ethanone;tert-butyl (3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane-1-carboxylate;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinane;(3S,5S)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine;1-[(3R,5R)-4-[2-[(3R,5R)-1-(2,2-dimethylpropanoyl)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 158942473) has the molecular formula C148H223N11O14P10S3 and a molecular weight of 2786.42 g/mol. Its IUPAC name is 1-[(3R,5R)-4-[2-[(3R,5R)-1-acetyl-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]ethanone;tert-butyl (3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane-1-carboxylate;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinane;(3S,5S)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine;1-[(3R,5R)-4-[2-[(3R,5R)-1-(2,2-dimethylpropanoyl)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[(3R,5R)-4-[2-[(3R,5R)-1-acetyl-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]ethanone;tert-butyl (3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane-1-carboxylate;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinane;(3S,5S)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine;1-[(3R,5R)-4-[2-[(3R,5R)-1-(2,2-dimethylpropanoyl)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]-2,2-dimethylpropan-1-one
PubChem CID158942473
Molecular FormulaC148H223N11O14P10S3
Molecular Weight2786.42 g/mol
Exact Mass2784.36
IUPAC Name1-[(3R,5R)-4-[2-[(3R,5R)-1-acetyl-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]ethanone;tert-butyl (3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane-1-carboxylate;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinane;(3S,5S)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine;1-[(3R,5R)-4-[2-[(3R,5R)-1-(2,2-dimethylpropanoyl)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(=O)N1C[C@@H](C)P(c2ccccc2P2[C@H](C)CN(C(C)=O)C[C@H]2C)[C@H](C)C1.C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)P1c1ccccc1P1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C.C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)P1c1ccccc1P1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]1C.C[C@@H]1CNC[C@@H](C)P1c1ccccc1P1[C@H](C)CNC[C@H]1C.Cc1ccc(S(=O)(=O)N2C[C@@H](C)C(c3ccccc3)[C@H](C)C2)cc1.Cc1ccc(S(=O)(=O)N2C[C@@H](C)P(c3ccccc3P3[C@H](C)CN(S(=O)(=O)c4ccc(C)cc4)C[C@H]3C)[C@H](C)C2)cc1
InChIInChI=1S/C32H42N2O4P2S2.C28H46N2O4P2.C28H46N2O2P2.C22H34N2O2P2.C20H25NO2S.C18H30N2P2/c1-23-11-15-29(16-12-23)41(35,36)33-19-25(3)39(26(4)20-33)31-9-7-8-10-32(31)40-27(5)21-34(22-28(40)6)42(37,38)30-17-13-24(2)14-18-30;1-19-15-29(25(31)33-27(5,6)7)16-20(2)35(19)23-13-11-12-14-24(23)36-21(3)17-30(18-22(36)4)26(32)34-28(8,9)10;1-19-15-29(25(31)27(5,6)7)16-20(2)33(19)23-13-11-12-14-24(23)34-21(3)17-30(18-22(34)4)26(32)28(8,9)10;1-15-11-23(19(5)25)12-16(2)27(15)21-9-7-8-10-22(21)28-17(3)13-24(20(6)26)14-18(28)4;1-15-9-11-19(12-10-15)24(22,23)21-13-16(2)20(17(3)14-21)18-7-5-4-6-8-18;1-13-9-19-10-14(2)21(13)17-7-5-6-8-18(17)22-15(3)11-20-12-16(22)4/h7-18,25-28H,19-22H2,1-6H3;11-14,19-22H,15-18H2,1-10H3;11-14,19-22H,15-18H2,1-10H3;7-10,15-18H,11-14H2,1-6H3;4-12,16-17,20H,13-14H2,1-3H3;5-8,13-16,19-20H,9-12H2,1-4H3/t25-,26-,27-,28-;2*19-,20-,21-,22-;15-,16-,17-,18-;16-,17-;13-,14-,15-,16-/m111111/s1
InChIKeyJKKPUNINFLKKOB-YZUSHNFMSA-N
XLogP26.56
TPSA276.52 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms186
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002786.42
LogP ≤ 526.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 1-[(3R,5R)-4-[2-[(3R,5R)-1-acetyl-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]ethanone;tert-butyl (3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane-1-carboxylate;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinane;(3S,5S)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine;1-[(3R,5R)-4-[2-[(3R,5R)-1-(2,2-dimethylpropanoyl)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]-2,2-dimethylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5R)-4-[2-[(3R,5R)-1-acetyl-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]ethanone;tert-butyl (3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane-1-carboxylate;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinane;(3S,5S)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine;1-[(3R,5R)-4-[2-[(3R,5R)-1-(2,2-dimethylpropanoyl)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[(3R,5R)-4-[2-[(3R,5R)-1-acetyl-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]ethanone;tert-butyl (3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane-1-carboxylate;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinane;(3S,5S)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine;1-[(3R,5R)-4-[2-[(3R,5R)-1-(2,2-dimethylpropanoyl)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]-2,2-dimethylpropan-1-one (CID 158942473) is 1-[(3R,5R)-4-[2-[(3R,5R)-1-acetyl-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]ethanone;tert-butyl (3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane-1-carboxylate;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinane;(3S,5S)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine;1-[(3R,5R)-4-[2-[(3R,5R)-1-(2,2-dimethylpropanoyl)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[(3R,5R)-4-[2-[(3R,5R)-1-acetyl-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]ethanone;tert-butyl (3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane-1-carboxylate;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinane;(3S,5S)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine;1-[(3R,5R)-4-[2-[(3R,5R)-1-(2,2-dimethylpropanoyl)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[(3R,5R)-4-[2-[(3R,5R)-1-acetyl-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]ethanone;tert-butyl (3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane-1-carboxylate;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinane;(3S,5S)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine;1-[(3R,5R)-4-[2-[(3R,5R)-1-(2,2-dimethylpropanoyl)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]-2,2-dimethylpropan-1-one is CC(=O)N1C[C@@H](C)P(c2ccccc2P2[C@H](C)CN(C(C)=O)C[C@H]2C)[C@H](C)C1.C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)P1c1ccccc1P1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C.C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)P1c1ccccc1P1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@H]1C.C[C@@H]1CNC[C@@H](C)P1c1ccccc1P1[C@H](C)CNC[C@H]1C.Cc1ccc(S(=O)(=O)N2C[C@@H](C)C(c3ccccc3)[C@H](C)C2)cc1.Cc1ccc(S(=O)(=O)N2C[C@@H](C)P(c3ccccc3P3[C@H](C)CN(S(=O)(=O)c4ccc(C)cc4)C[C@H]3C)[C@H](C)C2)cc1.
What is the InChIKey of 1-[(3R,5R)-4-[2-[(3R,5R)-1-acetyl-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]ethanone;tert-butyl (3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane-1-carboxylate;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinane;(3S,5S)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine;1-[(3R,5R)-4-[2-[(3R,5R)-1-(2,2-dimethylpropanoyl)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is JKKPUNINFLKKOB-YZUSHNFMSA-N. The full InChI is InChI=1S/C32H42N2O4P2S2.C28H46N2O4P2.C28H46N2O2P2.C22H34N2O2P2.C20H25NO2S.C18H30N2P2/c1-23-11-15-29(16-12-23)41(35,36)33-19-25(3)39(26(4)20-33)31-9-7-8-10-32(31)40-27(5)21-34(22-28(40)6)42(37,38)30-17-13-24(2)14-18-30;1-19-15-29(25(31)33-27(5,6)7)16-20(2)35(19)23-13-11-12-14-24(23)36-21(3)17-30(18-22(36)4)26(32)34-28(8,9)10;1-19-15-29(25(31)27(5,6)7)16-20(2)33(19)23-13-11-12-14-24(23)34-21(3)17-30(18-22(34)4)26(32)28(8,9)10;1-15-11-23(19(5)25)12-16(2)27(15)21-9-7-8-10-22(21)28-17(3)13-24(20(6)26)14-18(28)4;1-15-9-11-19(12-10-15)24(22,23)21-13-16(2)20(17(3)14-21)18-7-5-4-6-8-18;1-13-9-19-10-14(2)21(13)17-7-5-6-8-18(17)22-15(3)11-20-12-16(22)4/h7-18,25-28H,19-22H2,1-6H3;11-14,19-22H,15-18H2,1-10H3;11-14,19-22H,15-18H2,1-10H3;7-10,15-18H,11-14H2,1-6H3;4-12,16-17,20H,13-14H2,1-3H3;5-8,13-16,19-20H,9-12H2,1-4H3/t25-,26-,27-,28-;2*19-,20-,21-,22-;15-,16-,17-,18-;16-,17-;13-,14-,15-,16-/m111111/s1.
What are the key properties of 1-[(3R,5R)-4-[2-[(3R,5R)-1-acetyl-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]ethanone;tert-butyl (3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane-1-carboxylate;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinane;(3S,5S)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine;1-[(3R,5R)-4-[2-[(3R,5R)-1-(2,2-dimethylpropanoyl)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]-2,2-dimethylpropan-1-one?
1-[(3R,5R)-4-[2-[(3R,5R)-1-acetyl-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]ethanone;tert-butyl (3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane-1-carboxylate;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinane;(3S,5S)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine;1-[(3R,5R)-4-[2-[(3R,5R)-1-(2,2-dimethylpropanoyl)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 2786.42 g/mol, XLogP of 26.56, 17 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,5R)-4-[2-[(3R,5R)-1-acetyl-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]ethanone;tert-butyl (3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane-1-carboxylate;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinane;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-1,4-azaphosphinane;(3S,5S)-3,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine;1-[(3R,5R)-4-[2-[(3R,5R)-1-(2,2-dimethylpropanoyl)-3,5-dimethyl-1,4-azaphosphinan-4-yl]phenyl]-3,5-dimethyl-1,4-azaphosphinan-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 158942473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).