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

C27H26NO2P — CID 134940855

IUPAC(2S)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol
SMILESCN([C@@H](c1ccccc1)C(O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26NO2P/c1-28(31(30,24-18-10-4-11-19-24)25-20-12-5-13-21-25)26(22-14-6-2-7-15-22)27(29)23-16-8-3-9-17-23/h2-21,26-27,29H,1H3/t26-,27?/m0/s1
InChIKeyFJVKAIIHXOMLEO-QBHOUYDASA-N
MW427.48 g/mol
LogP5.32
Rot. Bonds7

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

(2S)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol (PubChem CID 134940855) has the molecular formula C27H26NO2P and a molecular weight of 427.48 g/mol. Its IUPAC name is (2S)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol.

Molecular Properties

Compound Name(2S)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol
PubChem CID134940855
Molecular FormulaC27H26NO2P
Molecular Weight427.48 g/mol
Exact Mass427.17
IUPAC Name(2S)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol
SMILESCN([C@@H](c1ccccc1)C(O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26NO2P/c1-28(31(30,24-18-10-4-11-19-24)25-20-12-5-13-21-25)26(22-14-6-2-7-15-22)27(29)23-16-8-3-9-17-23/h2-21,26-27,29H,1H3/t26-,27?/m0/s1
InChIKeyFJVKAIIHXOMLEO-QBHOUYDASA-N
XLogP5.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.48
LogP ≤ 55.32
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 (2S)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol?
The IUPAC name of (2S)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol (CID 134940855) is (2S)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol.
What is the SMILES notation for (2S)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol?
The canonical SMILES for (2S)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol is CN([C@@H](c1ccccc1)C(O)c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol?
The InChIKey is FJVKAIIHXOMLEO-QBHOUYDASA-N. The full InChI is InChI=1S/C27H26NO2P/c1-28(31(30,24-18-10-4-11-19-24)25-20-12-5-13-21-25)26(22-14-6-2-7-15-22)27(29)23-16-8-3-9-17-23/h2-21,26-27,29H,1H3/t26-,27?/m0/s1.
What are the key properties of (2S)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol?
(2S)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol has a molecular weight of 427.48 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[diphenylphosphoryl(methyl)amino]-1,2-diphenylethanol is sourced from PubChem (CID 134940855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).