1-{(2S)-1-[(11bS)-2,6-Dimethyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yloxy]propan-2-yl}-3-phenylurea

Catalog Number	ACM1357562630
CAS	1357562-63-0
Synonyms	1-[(2S)-1-[(10,16-dimethyl-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)oxy]propan-2-yl]-3-phenylurea
IUPAC Name	1-[(2S)-1-[(10,16-dimethyl-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)oxy]propan-2-yl]-3-phenylurea
Molecular Weight	536.56
Molecular Formula	C32H29N2O4P
InChI	GQUHGIZMJXKJMJ-QFIPXVFZSA-N
InChI Key	InChI=1S/C32H29N2O4P/c1-20-17-23-11-7-9-15-26(23)28-29-27-16-10-8-12-24(27)18-21(2)31(29)38-39(37-30(20)28)36-19-22(3)33-32(35)34-25-13-5-4-6-14-25/h4-18,22H,19H2,1-3H3,(H2,33,34,35)/t22-/m0/s1
Purity	98%
Appearance	Solid
Isomeric SMILES	CC1=CC2=CC=CC=C2C3=C1OP(OC4=C3C5=CC=CC=C5C=C4C)OC[C@H](C)NC(=O)NC6=CC=CC=C6

Q&A

What is the molecular formula of 1-{(2S)-1-[(11bS)-2,6-Dimethyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yloxy]propan-2-yl}-3-phenylurea?

The molecular formula is C32H29N2O4P.

What is the molecular weight of 1-{(2S)-1-[(11bS)-2,6-Dimethyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yloxy]propan-2-yl}-3-phenylurea?

The molecular weight is 536.6g/mol.

What is the exact mass of 1-{(2S)-1-[(11bS)-2,6-Dimethyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yloxy]propan-2-yl}-3-phenylurea?

The exact mass is 536.18649441.

How many hydrogen bond acceptors are there in 1-{(2S)-1-[(11bS)-2,6-Dimethyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yloxy]propan-2-yl}-3-phenylurea?

There are 4 hydrogen bond acceptors.

How many hydrogen bond donors are there in 1-{(2S)-1-[(11bS)-2,6-Dimethyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yloxy]propan-2-yl}-3-phenylurea?

There are 2 hydrogen bond donors.

What is the Canonical SMILES representation of 1-{(2S)-1-[(11bS)-2,6-Dimethyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yloxy]propan-2-yl}-3-phenylurea?

CC1=CC2=CC=CC=C2C3=C1OP(OC4=C3C5=CC=CC=C5C=C4C)OCC(C)NC(=O)NC6=CC=CC=C6

How many rotatable bonds are present in 1-{(2S)-1-[(11bS)-2,6-Dimethyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yloxy]propan-2-yl}-3-phenylurea?

There are 5 rotatable bonds.

What is the XLogP3 value of 1-{(2S)-1-[(11bS)-2,6-Dimethyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yloxy]propan-2-yl}-3-phenylurea?

The XLogP3 value is 7.8.

What is the InChIKey of 1-{(2S)-1-[(11bS)-2,6-Dimethyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yloxy]propan-2-yl}-3-phenylurea?

The InChIKey is GQUHGIZMJXKJMJ-QFIPXVFZSA-N.

What is one of the deposits supplied synonyms of 1-{(2S)-1-[(11bS)-2,6-Dimethyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yloxy]propan-2-yl}-3-phenylurea?

One of the synonyms is CS-0108310.