(2R)-1-(11bR)-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2-methyl-1,2,3,4-tetrahydroquinoline

Catalog Number	ACM1186392437
CAS	1186392-43-7
Structure
Synonyms	(R,Ra)-Me-THQphos
IUPAC Name	(2R)-1-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-2-methyl-3,4-dihydro-2H-quinoline
Molecular Weight	461.49
Molecular Formula	C30H24NO2P
InChI	YFCZGDQGHCIHNB-HXUWFJFHSA-N
InChI Key	InChI=1S/C30H24NO2P/c1-20-14-15-23-10-4-7-13-26(23)31(20)34-32-27-18-16-21-8-2-5-11-24(21)29(27)30-25-12-6-3-9-22(25)17-19-28(30)33-34/h2-13,16-20H,14-15H2,1H3/t20-/m1/s1
Boiling Point	654.3±48.0 °C(Predicted)
Melting Point	210-212 °C
Purity	98%+
Appearance	Solid
Isomeric SMILES	C[C@@H]1CCC2=CC=CC=C2N1P3OC4=C(C5=CC=CC=C5C=C4)C6=C(O3)C=CC7=CC=CC=C76
pKa	1.35±0.40(Predicted)

Q&A

What is the IUPAC name of (2R)-1-(11bR)-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2-methyl-1,2,3,4-tetrahydroquinoline?

The IUPAC name of (2R)-1-(11bR)-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2-methyl-1,2,3,4-tetrahydroquinoline is "(2R)-1-(12,14-dioxa-13-phosphapentacyclo[13.8.0.0²,¹¹.0³,⁸.0¹⁸,²³]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-2-methyl-3,4-dihydro-2H-quinoline"

What is the PubChem CID number of (2R)-1-(11bR)-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2-methyl-1,2,3,4-tetrahydroquinoline?

The PubChem CID number is 44178476

What is the molecular formula of (2R)-1-(11bR)-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2-methyl-1,2,3,4-tetrahydroquinoline?

The molecular formula is C30H24NO2P

What is the molecular weight of (2R)-1-(11bR)-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2-methyl-1,2,3,4-tetrahydroquinoline?

The molecular weight is 461.5 g/mol

How many heavy atoms are present in (2R)-1-(11bR)-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2-methyl-1,2,3,4-tetrahydroquinoline?

There are 34 heavy atoms in (2R)-1-(11bR)-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2-methyl-1,2,3,4-tetrahydroquinoline

What is the exact mass of (2R)-1-(11bR)-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2-methyl-1,2,3,4-tetrahydroquinoline?

The exact mass is 461.15446601

How many rotatable bonds are present in (2R)-1-(11bR)-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2-methyl-1,2,3,4-tetrahydroquinoline?

There is 1 rotatable bond present in (2R)-1-(11bR)-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2-methyl-1,2,3,4-tetrahydroquinoline

How many hydrogen bond acceptors are there in (2R)-1-(11bR)-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2-methyl-1,2,3,4-tetrahydroquinoline?

There are 3 hydrogen bond acceptors in (2R)-1-(11bR)-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2-methyl-1,2,3,4-tetrahydroquinoline

What is the Canonical SMILES of (2R)-1-(11bR)-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2-methyl-1,2,3,4-tetrahydroquinoline?

The Canonical SMILES is CC1CCC2=CC=CC=C2N1P3OC4=C(C5=CC=CC=C5C=C4)C6=C(O3)C=CC7=CC=CC=C76

What is the InChIKey of (2R)-1-(11bR)-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2-methyl-1,2,3,4-tetrahydroquinoline?

The InChIKey is YFCZGDQGHCIHNB-HXUWFJFHSA-N