(3aR,8aR)-4,4,8,8-Tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetramethyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine

Catalog Number	ACM840454582
CAS	840454-58-2
Structure
Synonyms	(1R,7R)-4-Dimethylamino-9,9-Dimethyl-2,2,6,6-Tetrakis(3,5-Dimethylphenyl)-3,5,8,10-Tetraoxa-4-Phosphabicyclo[5.3.0]Decane
IUPAC Name	(3aR,8aR)-4,4,8,8-tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetramethyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine
Molecular Weight	651.81
Molecular Formula	C41H50NO4P
InChI	MQWIRJLCMSDPCG-XPSQVAKYSA-N
InChI Key	InChI=1S/C41H50NO4P/c1-25-13-26(2)18-33(17-25)40(34-19-27(3)14-28(4)20-34)37-38(44-39(9,10)43-37)41(46-47(45-40)42(11)12,35-21-29(5)15-30(6)22-35)36-23-31(7)16-32(8)24-36/h13-24,37-38H,1-12H3/t37-,38-/m1/s1
Boiling Point	645.8±55.0 °C(Predicted)
Purity	97%
Isomeric SMILES	CC1=CC(=CC(=C1)C2([C@H]3[C@H](C(OP(O2)N(C)C)(C4=CC(=CC(=C4)C)C)C5=CC(=CC(=C5)C)C)OC(O3)(C)C)C6=CC(=CC(=C6)C)C)C

Q&A

What is the molecular formula of (3aR,8aR)-4,4,8,8-Tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetramethyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine?

The molecular formula of (3aR,8aR)-4,4,8,8-Tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetramethyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine is C41H50NO4P.

What is the molecular weight of (3aR,8aR)-4,4,8,8-Tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetramethyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine?

The molecular weight of (3aR,8aR)-4,4,8,8-Tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetramethyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine is 651.8g/mol.

What is the monoisotopic mass of (3aR,8aR)-4,4,8,8-Tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetramethyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine?

The monoisotopic mass of (3aR,8aR)-4,4,8,8-Tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetramethyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine is 651.34774607.

What is the Canonical SMILES representation of (3aR,8aR)-4,4,8,8-Tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetramethyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine?

CC1=CC(=CC(=C1)C2(C3C(C(OP(O2)N(C)C)(C4=CC(=CC(=C4)C)C)C5=CC(=CC(=C5)C)C)OC(O3)(C)C)C6=CC(=CC(=C6)C)C)C

How many hydrogen bond acceptors does (3aR,8aR)-4,4,8,8-Tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetramethyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine have?

(3aR,8aR)-4,4,8,8-Tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetramethyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine has 5 hydrogen bond acceptors.

What is the XLogP3 value of (3aR,8aR)-4,4,8,8-Tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetramethyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine?

The XLogP3 value of (3aR,8aR)-4,4,8,8-Tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetramethyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine is 9.3.

What is the IUPAC Name of (3aR,8aR)-4,4,8,8-Tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetramethyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine?

The IUPAC Name of (3aR,8aR)-4,4,8,8-Tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetramethyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine is (3aR,8aR)-4,4,8,8-tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetramethyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine.

What are some Depositor-Supplied Synonyms for (3aR,8aR)-4,4,8,8-Tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetramethyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine?

Some Depositor-Supplied Synonyms for (3aR,8aR)-4,4,8,8-Tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetramethyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine are 840454-58-2, AKOS040767863, CS-0129007, and E75107.

What is the InChIKey of (3aR,8aR)-4,4,8,8-Tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetramethyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine?

The InChIKey of (3aR,8aR)-4,4,8,8-Tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetramethyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine is MQWIRJLCMSDPCG-XPSQVAKYSA-N.

What are the Computed Properties of (3aR,8aR)-4,4,8,8-Tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetramethyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine in terms of defined atom stereocenter count, formal charge, and heavy atom count?

(3aR,8aR)-4,4,8,8-Tetrakis(3,5-dimethylphenyl)-N,N,2,2-tetramethyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine has 2 defined atom stereocenters, a formal charge of 0, and a heavy atom count of 47.