(S)-(-)-5,5'-Bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole

Catalog Number	ACM210169543
CAS	210169-54-3
Structure
Synonyms	[4(S)-(4,4'-bi-1,3-benzodioxole)-5,5'-diyl]bis[diphenylphosphine]; (S)-SEGPHOS
IUPAC Name	[4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane
Molecular Weight	610.57
Molecular Formula	C38H28O4P2
InChI	RZZDRSHFIVOQAF-UHFFFAOYSA-N
InChI Key	InChI=1S/C38H28O4P2/c1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)33-23-21-31-37(41-25-39-31)35(33)36-34(24-22-32-38(36)42-26-40-32)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24H,25-26H2
Boiling Point	715.4±60.0 °C(Predicted)
Melting Point	231-235 °C
Purity	98%+
Appearance	Solid
Isomeric SMILES	C1OC2=C(O1)C(=C(C=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC6=C5OCO6)P(C7=CC=CC=C7)C8=CC=CC=C8

Q&A

What is the CAS number of (S)-(-)-5,5'-Bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole?

The CAS numbers are 210169-54-3 and 244261-66-3.

What is the Canonical SMILES representation of (S)-(-)-5,5'-Bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole?

The Canonical SMILES is C1OC2=C(O1)C(=C(C=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC6=C5OCO6)P(C7=CC=CC=C7)C8=CC=CC=C8.

How many heavy atoms are present in the molecule of (S)-(-)-5,5'-Bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole?

There are 44 heavy atoms present.

What is the molecular weight of (S)-(-)-5,5'-Bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole?

The molecular weight is 610.6g/mol.

How many hydrogen bond acceptors are present in the molecule of (S)-(-)-5,5'-Bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole?

There are 4 hydrogen bond acceptors present.

What is the IUPAC Name of (S)-(-)-5,5'-Bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole?

The IUPAC Name is [4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane.

What is the InChIKey of (S)-(-)-5,5'-Bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole?

The InChIKey is RZZDRSHFIVOQAF-UHFFFAOYSA-N.

How many rotatable bonds are present in the molecule of (S)-(-)-5,5'-Bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole?

There are 7 rotatable bonds present.

What is the Monoisotopic Mass of (S)-(-)-5,5'-Bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole?

The Monoisotopic Mass is 610.14628337.

What is the molecular formula of (S)-(-)-5,5'-Bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole?

The molecular formula is C38H28O4P2.