(S)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)pyrrolidine

Catalog Number	ACM627528965
CAS	627528-96-5
Structure
Synonyms	1-(11bS)-Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl- Pyrrolidine
IUPAC Name	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)pyrrolidine
Molecular Weight	385.40
Molecular Formula	C24H20NO2P
InChI	PEBZMIJYTLAUKZ-UHFFFAOYSA-N
InChI Key	InChI=1S/C24H20NO2P/c1-3-9-19-17(7-1)11-13-21-23(19)24-20-10-4-2-8-18(20)12-14-22(24)27-28(26-21)25-15-5-6-16-25/h1-4,7-14H,5-6,15-16H2
Purity	98%
Isomeric SMILES	C1CCN(C1)P2OC3=C(C4=CC=CC=C4C=C3)C5=C(O2)C=CC6=CC=CC=C65

Q&A

What is the canonical SMILES for (S)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)pyrrolidine?

C1CCN(C1)P2OC3=C(C4=CC=CC=C4C=C3)C5=C(O2)C=CC6=CC=CC=C65

How many computed properties defined atom stereocenter count are there for (S)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)pyrrolidine?

0

What is the computed properties XLogP3 value for (S)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)pyrrolidine?

6.6

Provide the depositor-supplied synonym for (S)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)pyrrolidine that has the CAS number 627528-96-5.

F52262

What is the exact mass of (S)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)pyrrolidine?

385.12316588

What is the IUPAC name of (S)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)pyrrolidine?

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)pyrrolidine

What is the molecular weight of (S)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)pyrrolidine?

385.4 g/mol

What is the monoisotopic mass of (S)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)pyrrolidine?

385.12316588

What is the InChIKey for (S)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)pyrrolidine?

PEBZMIJYTLAUKZ-UHFFFAOYSA-N

How many hydrogen bond acceptor count are there for (S)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)pyrrolidine?

3