(11bR)-(1S)-N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine

Catalog Number	ACM556808287
CAS	556808-28-7
Synonyms	Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine, N-[(1S)-1-phenylethyl]-, (11bR)-
IUPAC Name	N-[(1S)-1-phenylethyl]-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-amine
Molecular Weight	435.45
Molecular Formula	C28H22NO2P
InChI	OXUOPBPAVLQNGC-IBGZPJMESA-N
InChI Key	InChI=1S/C28H22NO2P/c1-19(20-9-3-2-4-10-20)29-32-30-25-17-15-21-11-5-7-13-23(21)27(25)28-24-14-8-6-12-22(24)16-18-26(28)31-32/h2-19,29H,1H3/t19-/m0/s1
Boiling Point	634.3±48.0 °C(Predicted)
Purity	98%
Isomeric SMILES	C[C@@H](C1=CC=CC=C1)NP2OC3=C(C4=CC=CC=C4C=C3)C5=C(O2)C=CC6=CC=CC=C65
pKa	0.97±0.20(Predicted)

Q&A

What is the molecular formula of (11bR)-(1S)-N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The molecular formula is C28H22NO2P.

What is the molecular weight of (11bR)-(1S)-N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The molecular weight is 435.5 g/mol.

What is the exact mass of (11bR)-(1S)-N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The exact mass is 435.13881594.

How many heavy atoms are present in (11bR)-(1S)-N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

There are 32 heavy atoms present.

What is the XLogP3 value of (11bR)-(1S)-N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The XLogP3 value is 7.5.

How many rotatable bonds are present in (11bR)-(1S)-N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

There are 3 rotatable bonds present.

How many hydrogen bond acceptors are there in (11bR)-(1S)-N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

There are 3 hydrogen bond acceptors.

What is the canonical SMILES of (11bR)-(1S)-N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

CC(C1=CC=CC=C1)NP2OC3=C(C4=CC=CC=C4C=C3)C5=C(O2)C=CC6=CC=CC=C65

What is the InChIKey of (11bR)-(1S)-N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The InChIKey is OXUOPBPAVLQNGC-IBGZPJMESA-N.

What are some of the depositor-supplied synonyms for (11bR)-(1S)-N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

Some of the depositor-supplied synonyms include 422509-53-3, SCHEMBL14001439, CS-0087697, CS-0087707, and others listed.