(1R,2S)-2-[diphenylphosphoryl-[(1S)-1-phenylethyl]amino]-1,2-diphenylethanol

C34H32NO2P — CID 134940746

IUPAC(1R,2S)-2-[diphenylphosphoryl-[(1S)-1-phenylethyl]amino]-1,2-diphenylethanol
SMILESC[C@@H](c1ccccc1)N([C@@H](c1ccccc1)[C@H](O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H32NO2P/c1-27(28-17-7-2-8-18-28)35(38(37,31-23-13-5-14-24-31)32-25-15-6-16-26-32)33(29-19-9-3-10-20-29)34(36)30-21-11-4-12-22-30/h2-27,33-34,36H,1H3/t27-,33-,34+/m0/s1
InChIKeyOOHCXMXTCDWXQF-FBBJSWSOSA-N
MW517.61 g/mol
LogP7.45
Rot. Bonds9

About (1R,2S)-2-[diphenylphosphoryl-[(1S)-1-phenylethyl]amino]-1,2-diphenylethanol

(1R,2S)-2-[diphenylphosphoryl-[(1S)-1-phenylethyl]amino]-1,2-diphenylethanol (PubChem CID 134940746) has the molecular formula C34H32NO2P and a molecular weight of 517.61 g/mol. Its IUPAC name is (1R,2S)-2-[diphenylphosphoryl-[(1S)-1-phenylethyl]amino]-1,2-diphenylethanol.

Molecular Properties

Compound Name(1R,2S)-2-[diphenylphosphoryl-[(1S)-1-phenylethyl]amino]-1,2-diphenylethanol
PubChem CID134940746
Molecular FormulaC34H32NO2P
Molecular Weight517.61 g/mol
Exact Mass517.22
IUPAC Name(1R,2S)-2-[diphenylphosphoryl-[(1S)-1-phenylethyl]amino]-1,2-diphenylethanol
SMILESC[C@@H](c1ccccc1)N([C@@H](c1ccccc1)[C@H](O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H32NO2P/c1-27(28-17-7-2-8-18-28)35(38(37,31-23-13-5-14-24-31)32-25-15-6-16-26-32)33(29-19-9-3-10-20-29)34(36)30-21-11-4-12-22-30/h2-27,33-34,36H,1H3/t27-,33-,34+/m0/s1
InChIKeyOOHCXMXTCDWXQF-FBBJSWSOSA-N
XLogP7.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.61
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-[diphenylphosphoryl-[(1S)-1-phenylethyl]amino]-1,2-diphenylethanol?
The IUPAC name of (1R,2S)-2-[diphenylphosphoryl-[(1S)-1-phenylethyl]amino]-1,2-diphenylethanol (CID 134940746) is (1R,2S)-2-[diphenylphosphoryl-[(1S)-1-phenylethyl]amino]-1,2-diphenylethanol.
What is the SMILES notation for (1R,2S)-2-[diphenylphosphoryl-[(1S)-1-phenylethyl]amino]-1,2-diphenylethanol?
The canonical SMILES for (1R,2S)-2-[diphenylphosphoryl-[(1S)-1-phenylethyl]amino]-1,2-diphenylethanol is C[C@@H](c1ccccc1)N([C@@H](c1ccccc1)[C@H](O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,2S)-2-[diphenylphosphoryl-[(1S)-1-phenylethyl]amino]-1,2-diphenylethanol?
The InChIKey is OOHCXMXTCDWXQF-FBBJSWSOSA-N. The full InChI is InChI=1S/C34H32NO2P/c1-27(28-17-7-2-8-18-28)35(38(37,31-23-13-5-14-24-31)32-25-15-6-16-26-32)33(29-19-9-3-10-20-29)34(36)30-21-11-4-12-22-30/h2-27,33-34,36H,1H3/t27-,33-,34+/m0/s1.
What are the key properties of (1R,2S)-2-[diphenylphosphoryl-[(1S)-1-phenylethyl]amino]-1,2-diphenylethanol?
(1R,2S)-2-[diphenylphosphoryl-[(1S)-1-phenylethyl]amino]-1,2-diphenylethanol has a molecular weight of 517.61 g/mol, XLogP of 7.45, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-[diphenylphosphoryl-[(1S)-1-phenylethyl]amino]-1,2-diphenylethanol is sourced from PubChem (CID 134940746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).