O-benzyl (2R)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanethioate;2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphinothioyl]amino]propanoate;ethyl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate

C152H229N8O27P9S9 — CID 159514587

IUPACO-benzyl (2R)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanethioate;2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphinothioyl]amino]propanoate;ethyl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate
SMILESCC(C)OC(=O)[C@@H](C)NP(=S)(Oc1ccccc1)C(C)C.CC(C)OC(=O)[C@@H](C)N[P@@](=S)(Oc1ccccc1)C(C)C.CC(C)OC(=O)[C@@H](C)N[P@](=S)(Oc1ccccc1)C(C)C.CC(C)OC(=O)[C@H](C)NP(=S)(Oc1ccccc1)C(C)C.CC(C)OC(=O)[C@H](C)N[P@@](=S)(Oc1ccccc1)C(C)(C)C.CC(C)OC(=O)[C@H](C)N[P@](=S)(Oc1ccccc1)C(C)C.CCOC(=O)[C@H](C)NP(=S)(Oc1ccccc1)C(C)C.C[C@H](CP(=O)(Oc1cccc2ccccc12)C(C)(C)C)C(=S)OCc1ccccc1.C[C@H](NP(=S)(Oc1cccc2ccccc12)C(C)(C)C)C(=O)OCC(C)(C)C
InChIInChI=1S/C25H29O3PS.C22H32NO3PS.C16H26NO3PS.5C15H24NO3PS.C14H22NO3PS/c1-19(24(30)27-17-20-11-6-5-7-12-20)18-29(26,25(2,3)4)28-23-16-10-14-21-13-8-9-15-22(21)23;1-16(20(24)25-15-21(2,3)4)23-27(28,22(5,6)7)26-19-14-10-12-17-11-8-9-13-18(17)19;1-12(2)19-15(18)13(3)17-21(22,16(4,5)6)20-14-10-8-7-9-11-14;5*1-11(2)18-15(17)13(5)16-20(21,12(3)4)19-14-9-7-6-8-10-14;1-5-17-14(16)12(4)15-19(20,11(2)3)18-13-9-7-6-8-10-13/h5-16,19H,17-18H2,1-4H3;8-14,16H,15H2,1-7H3,(H,23,28);7-13H,1-6H3,(H,17,22);5*6-13H,1-5H3,(H,16,21);6-12H,5H2,1-4H3,(H,15,20)/t19-,29?;16-,27?;13-,21+;2*13-,20?;13-,20+;2*13-,20-;12-,19?/m100101100/s1
InChIKeyMBAHDZVBQMVBKF-QCHVWPKNSA-N
MW3167.90 g/mol
LogP39.36
Rot. Bonds61

About O-benzyl (2R)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanethioate;2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphinothioyl]amino]propanoate;ethyl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate

O-benzyl (2R)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanethioate;2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphinothioyl]amino]propanoate;ethyl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate (PubChem CID 159514587) has the molecular formula C152H229N8O27P9S9 and a molecular weight of 3167.90 g/mol. Its IUPAC name is O-benzyl (2R)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanethioate;2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphinothioyl]amino]propanoate;ethyl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate.

Molecular Properties

Compound NameO-benzyl (2R)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanethioate;2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphinothioyl]amino]propanoate;ethyl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate
PubChem CID159514587
Molecular FormulaC152H229N8O27P9S9
Molecular Weight3167.90 g/mol
Exact Mass3165.19
IUPAC NameO-benzyl (2R)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanethioate;2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphinothioyl]amino]propanoate;ethyl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate
SMILESCC(C)OC(=O)[C@@H](C)NP(=S)(Oc1ccccc1)C(C)C.CC(C)OC(=O)[C@@H](C)N[P@@](=S)(Oc1ccccc1)C(C)C.CC(C)OC(=O)[C@@H](C)N[P@](=S)(Oc1ccccc1)C(C)C.CC(C)OC(=O)[C@H](C)NP(=S)(Oc1ccccc1)C(C)C.CC(C)OC(=O)[C@H](C)N[P@@](=S)(Oc1ccccc1)C(C)(C)C.CC(C)OC(=O)[C@H](C)N[P@](=S)(Oc1ccccc1)C(C)C.CCOC(=O)[C@H](C)NP(=S)(Oc1ccccc1)C(C)C.C[C@H](CP(=O)(Oc1cccc2ccccc12)C(C)(C)C)C(=S)OCc1ccccc1.C[C@H](NP(=S)(Oc1cccc2ccccc12)C(C)(C)C)C(=O)OCC(C)(C)C
InChIInChI=1S/C25H29O3PS.C22H32NO3PS.C16H26NO3PS.5C15H24NO3PS.C14H22NO3PS/c1-19(24(30)27-17-20-11-6-5-7-12-20)18-29(26,25(2,3)4)28-23-16-10-14-21-13-8-9-15-22(21)23;1-16(20(24)25-15-21(2,3)4)23-27(28,22(5,6)7)26-19-14-10-12-17-11-8-9-13-18(17)19;1-12(2)19-15(18)13(3)17-21(22,16(4,5)6)20-14-10-8-7-9-11-14;5*1-11(2)18-15(17)13(5)16-20(21,12(3)4)19-14-9-7-6-8-10-14;1-5-17-14(16)12(4)15-19(20,11(2)3)18-13-9-7-6-8-10-13/h5-16,19H,17-18H2,1-4H3;8-14,16H,15H2,1-7H3,(H,23,28);7-13H,1-6H3,(H,17,22);5*6-13H,1-5H3,(H,16,21);6-12H,5H2,1-4H3,(H,15,20)/t19-,29?;16-,27?;13-,21+;2*13-,20?;13-,20+;2*13-,20-;12-,19?/m100101100/s1
InChIKeyMBAHDZVBQMVBKF-QCHVWPKNSA-N
XLogP39.36
TPSA416.01 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds61
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003167.90
LogP ≤ 539.36
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze O-benzyl (2R)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanethioate;2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphinothioyl]amino]propanoate;ethyl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate with MolForge

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Related Compounds

2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphinothioyl]amino]propanoate
CID 122527458
2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
CID 160852821
benzyl (2S)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanoate;(3S)-3-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-one;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
CID 157251426
ethyl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate
CID 134165823
benzyl (2S)-2-[[naphthalen-1-yloxy(phenoxy)phosphoryl]amino]propanoate
CID 146653962
2,2-dimethylpropyl (2R)-2-[[methyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate
CID 122532077
benzyl 3-[chloro(naphthalen-1-yloxy)phosphoryl]-2-methylpropanoate
CID 76786008
ethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate
CID 134359855
ethyl (2R)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate
CID 122527443
ethyl (2S)-2-[[phenoxy(phenylmethoxymethyl)phosphoryl]amino]propanoate
CID 131990521
propan-2-yl (2R)-2-[[phenoxy(1-sulfanylpropan-2-yl)phosphinothioyl]amino]propanoate
CID 126586789
benzyl (2S)-2-[[[4-chloro-2-(trifluoromethyl)phenoxy]-naphthalen-1-yloxyphosphoryl]amino]propanoate
CID 146655073

Frequently Asked Questions

What is the IUPAC name of O-benzyl (2R)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanethioate;2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphinothioyl]amino]propanoate;ethyl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate?
The IUPAC name of O-benzyl (2R)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanethioate;2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphinothioyl]amino]propanoate;ethyl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate (CID 159514587) is O-benzyl (2R)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanethioate;2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphinothioyl]amino]propanoate;ethyl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate.
What is the SMILES notation for O-benzyl (2R)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanethioate;2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphinothioyl]amino]propanoate;ethyl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate?
The canonical SMILES for O-benzyl (2R)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanethioate;2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphinothioyl]amino]propanoate;ethyl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate is CC(C)OC(=O)[C@@H](C)NP(=S)(Oc1ccccc1)C(C)C.CC(C)OC(=O)[C@@H](C)N[P@@](=S)(Oc1ccccc1)C(C)C.CC(C)OC(=O)[C@@H](C)N[P@](=S)(Oc1ccccc1)C(C)C.CC(C)OC(=O)[C@H](C)NP(=S)(Oc1ccccc1)C(C)C.CC(C)OC(=O)[C@H](C)N[P@@](=S)(Oc1ccccc1)C(C)(C)C.CC(C)OC(=O)[C@H](C)N[P@](=S)(Oc1ccccc1)C(C)C.CCOC(=O)[C@H](C)NP(=S)(Oc1ccccc1)C(C)C.C[C@H](CP(=O)(Oc1cccc2ccccc12)C(C)(C)C)C(=S)OCc1ccccc1.C[C@H](NP(=S)(Oc1cccc2ccccc12)C(C)(C)C)C(=O)OCC(C)(C)C.
What is the InChIKey of O-benzyl (2R)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanethioate;2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphinothioyl]amino]propanoate;ethyl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate?
The InChIKey is MBAHDZVBQMVBKF-QCHVWPKNSA-N. The full InChI is InChI=1S/C25H29O3PS.C22H32NO3PS.C16H26NO3PS.5C15H24NO3PS.C14H22NO3PS/c1-19(24(30)27-17-20-11-6-5-7-12-20)18-29(26,25(2,3)4)28-23-16-10-14-21-13-8-9-15-22(21)23;1-16(20(24)25-15-21(2,3)4)23-27(28,22(5,6)7)26-19-14-10-12-17-11-8-9-13-18(17)19;1-12(2)19-15(18)13(3)17-21(22,16(4,5)6)20-14-10-8-7-9-11-14;5*1-11(2)18-15(17)13(5)16-20(21,12(3)4)19-14-9-7-6-8-10-14;1-5-17-14(16)12(4)15-19(20,11(2)3)18-13-9-7-6-8-10-13/h5-16,19H,17-18H2,1-4H3;8-14,16H,15H2,1-7H3,(H,23,28);7-13H,1-6H3,(H,17,22);5*6-13H,1-5H3,(H,16,21);6-12H,5H2,1-4H3,(H,15,20)/t19-,29?;16-,27?;13-,21+;2*13-,20?;13-,20+;2*13-,20-;12-,19?/m100101100/s1.
What are the key properties of O-benzyl (2R)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanethioate;2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphinothioyl]amino]propanoate;ethyl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate?
O-benzyl (2R)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanethioate;2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphinothioyl]amino]propanoate;ethyl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate has a molecular weight of 3167.90 g/mol, XLogP of 39.36, 61 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for O-benzyl (2R)-3-[tert-butyl(naphthalen-1-yloxy)phosphoryl]-2-methylpropanethioate;2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphinothioyl]amino]propanoate;ethyl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphinothioyl]amino]propanoate is sourced from PubChem (CID 159514587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).