(S)-Ru(OAc)2(SEGPHOS)

• CAS: 373650-12-5
• Catalog Number: ACM373650125
• Category: Ruthenium series catalysts
• Molecular Weight: 829.73
• Molecular Formula: C₄₂H₃₄O₈P₂Ru
• Synonyms: Diacetato[(S)-(−)-5,5′-bis(diphenylphosphino)-4,4′-bi-1,3-benzodioxole]ruthenium(II)
• IUPAC Name: acetic acid;[4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane;ruthenium
• InChI Key: OISNHBFITMBIMI-UHFFFAOYSA-N
• Appearance: dark yellow powder
• Exact Mass: 830.07700
• H-Bond Acceptor: 8
• H-Bond Donor: 2
• MDL Number: MFCD09753024

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is acetic acid;[4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane;ruthenium.

What is the molecular weight of the compound?

The molecular weight of the compound is 831.7 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C38H28O4P2.2C2H4O2.Ru/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;2*1H3,(H,3,4);

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC(=O)O.CC(=O)O.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.[Ru].

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count of the compound is 2.

What is the hydrogen bond acceptor count of the compound?

The hydrogen bond acceptor count of the compound is 8.

How many rotatable bonds does the compound have?

The compound has 7 rotatable bonds.

What is the exact mass of the compound?

The exact mass of the compound is 832.092882 g/mol.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 112?2.

How many heavy atoms are present in the compound?

The compound contains 53 heavy atoms.