(1S,2S)-(-)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl)

Catalog Number	ACM205495665-2
CAS	205495-66-5
Structure
Synonyms	(1S,2S)-(-)-N,N'-Bis(2-Diphenylphosphino-1-Napthoyl)-1,2-Diaminocyclohexane
IUPAC Name	2-diphenylphosphanyl-N-[(1S,2S)-2-[(2-diphenylphosphanylnaphthalene-1-carbonyl)amino]cyclohexyl]naphthalene-1-carboxamide
Molecular Weight	790.88
Molecular Formula	C52H44N2O2P2
InChI	VXFKMKXTPXVEMU-ZYBCLOSLSA-N
InChI Key	InChI=1S/C52H44N2O2P2/c55-51(49-43-29-15-13-19-37(43)33-35-47(49)57(39-21-5-1-6-22-39)40-23-7-2-8-24-40)53-45-31-17-18-32-46(45)54-52(56)50-44-30-16-14-20-38(44)34-36-48(50)58(41-25-9-3-10-26-41)42-27-11-4-12-28-42/h1-16,19-30,33-36,45-46H,17-18,31-32H2,(H,53,55)(H,54,56)/t45-,46-/m0/s1
Melting Point	232-237 °C
Purity	98%
Appearance	Solid
Isomeric SMILES	C1CC[C@@H]([C@H](C1)NC(=O)C2=C(C=CC3=CC=CC=C32)P(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)C6=C(C=CC7=CC=CC=C76)P(C8=CC=CC=C8)C9=CC=CC=C9
pKa	13.43±0.40(Predicted)

Q&A

What is the CAS number of (1S,2S)-(-)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl)?

The CAS number is 205495-66-5.

How many Covalently-Bonded Units are in the chemical structure of (1S,2S)-(-)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl)?

There is 1 Covalently-Bonded Unit.

How many Defined Atom Stereocenters are in the chemical structure of (1S,2S)-(-)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl)?

There are 2 Defined Atom Stereocenters.

What is the Heavy Atom Count of (1S,2S)-(-)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl)?

The Heavy Atom Count is 58.

How many Rotatable Bonds are in the chemical structure of (1S,2S)-(-)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl)?

There are 10 Rotatable Bonds.

What is the Topological Polar Surface Area of (1S,2S)-(-)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl)?

The Topological Polar Surface Area is 58.2.

What is the molecular weight of (1S,2S)-(-)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl)?

The molecular weight is 790.9 g/mol.

What is the IUPAC Name of (1S,2S)-(-)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl)?

The IUPAC Name is 2-diphenylphosphanyl-N-[(1S,2S)-2-[(2-diphenylphosphanylnaphthalene-1-carbonyl)amino]cyclohexyl]naphthalene-1-carboxamide.

How many Hydrogen Bond Donors are in the chemical structure of (1S,2S)-(-)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl)?

There are 2 Hydrogen Bond Donors.

What is the Exact Mass of (1S,2S)-(-)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl)?

The Exact Mass is 790.28780265.