(4S,4'S)-2,2'-((Phenylphosphanediyl)bis(2,1-phenylene))bis(4-benzyl-4,5-dihydrooxazole)

Catalog Number	ACM2368937522
CAS	2368937-52-2
Synonyms	Bis[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-phenylphosphane
IUPAC Name	bis[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-phenylphosphane
Molecular Weight	580.65
Molecular Formula	C38H33N2O2P
InChI	HSRGLAMKLMUNJI-CONSDPRKSA-N
InChI Key	InChI=1S/C38H33N2O2P/c1-4-14-28(15-5-1)24-30-26-41-37(39-30)33-20-10-12-22-35(33)43(32-18-8-3-9-19-32)36-23-13-11-21-34(36)38-40-31(27-42-38)25-29-16-6-2-7-17-29/h1-23,30-31H,24-27H2/t30-,31-/m0/s1
Boiling Point	723.1±45.0 °C(Predicted)
Purity	97%
Isomeric SMILES	C1[C@@H](N=C(O1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4C5=N[C@H](CO5)CC6=CC=CC=C6)CC7=CC=CC=C7
pKa	4.66±0.70(Predicted)

Q&A

What is the IUPAC name of (4S,4'S)-2,2'-((Phenylphosphanediyl)bis(2,1-phenylene))bis(4-benzyl-4,5-dihydrooxazole)?

The IUPAC name of (4S,4'S)-2,2'-((Phenylphosphanediyl)bis(2,1-phenylene))bis(4-benzyl-4,5-dihydrooxazole) is bis[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-phenylphosphane.

What is the molecular formula of (4S,4'S)-2,2'-((Phenylphosphanediyl)bis(2,1-phenylene))bis(4-benzyl-4,5-dihydrooxazole)?

The molecular formula of (4S,4'S)-2,2'-((Phenylphosphanediyl)bis(2,1-phenylene))bis(4-benzyl-4,5-dihydrooxazole) is C38H33N2O2P.

What is the molecular weight of (4S,4'S)-2,2'-((Phenylphosphanediyl)bis(2,1-phenylene))bis(4-benzyl-4,5-dihydrooxazole)?

The molecular weight of (4S,4'S)-2,2'-((Phenylphosphanediyl)bis(2,1-phenylene))bis(4-benzyl-4,5-dihydrooxazole) is 580.7g/mol.

What is the exact mass of (4S,4'S)-2,2'-((Phenylphosphanediyl)bis(2,1-phenylene))bis(4-benzyl-4,5-dihydrooxazole)?

The exact mass of (4S,4'S)-2,2'-((Phenylphosphanediyl)bis(2,1-phenylene))bis(4-benzyl-4,5-dihydrooxazole) is 580.22796530.

How many heavy atoms are present in (4S,4'S)-2,2'-((Phenylphosphanediyl)bis(2,1-phenylene))bis(4-benzyl-4,5-dihydrooxazole)?

There are 43 heavy atoms present in (4S,4'S)-2,2'-((Phenylphosphanediyl)bis(2,1-phenylene))bis(4-benzyl-4,5-dihydrooxazole).

How many rotatable bonds are present in (4S,4'S)-2,2'-((Phenylphosphanediyl)bis(2,1-phenylene))bis(4-benzyl-4,5-dihydrooxazole)?

There are 9 rotatable bonds present in (4S,4'S)-2,2'-((Phenylphosphanediyl)bis(2,1-phenylene))bis(4-benzyl-4,5-dihydrooxazole).

How many hydrogen bond acceptor count is present in (4S,4'S)-2,2'-((Phenylphosphanediyl)bis(2,1-phenylene))bis(4-benzyl-4,5-dihydrooxazole)?

There are 4 hydrogen bond acceptor count present in (4S,4'S)-2,2'-((Phenylphosphanediyl)bis(2,1-phenylene))bis(4-benzyl-4,5-dihydrooxazole).

What is the XLogP3 value of (4S,4'S)-2,2'-((Phenylphosphanediyl)bis(2,1-phenylene))bis(4-benzyl-4,5-dihydrooxazole)?

The XLogP3 value of (4S,4'S)-2,2'-((Phenylphosphanediyl)bis(2,1-phenylene))bis(4-benzyl-4,5-dihydrooxazole) is 7.7.

What is the Canonical SMILES of (4S,4'S)-2,2'-((Phenylphosphanediyl)bis(2,1-phenylene))bis(4-benzyl-4,5-dihydrooxazole)?

The Canonical SMILES of (4S,4'S)-2,2'-((Phenylphosphanediyl)bis(2,1-phenylene))bis(4-benzyl-4,5-dihydrooxazole) is C1C(N=C(O1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4C5=NC(CO5)CC6=CC=CC=C6)CC7=CC=CC=C7.

What is the InChIKey of (4S,4'S)-2,2'-((Phenylphosphanediyl)bis(2,1-phenylene))bis(4-benzyl-4,5-dihydrooxazole)?

The InChIKey of (4S,4'S)-2,2'-((Phenylphosphanediyl)bis(2,1-phenylene))bis(4-benzyl-4,5-dihydrooxazole) is HSRGLAMKLMUNJI-CONSDPRKSA-N.