(2-{2-[bis(4-methoxy-3,5-dimethylphenyl)phosphanyl]-4,6-dimethoxyphenyl}-3,5-dimethoxyphenyl)bis(4-methoxy-3,5-dimethylphenyl)phosphane

• ChemBase ID: 301586
• Molecular Formular: C52H60O8P2
• Molecular Mass: 874.975522
• Monoisotopic Mass: 874.37634214
• SMILES: Cc1cc(cc(c1OC)C)P(c1cc(c(c(c1)C)OC)C)c1cc(cc(c1c1c(cc(cc1P(c1cc(c(c(c1)C)OC)C)c1cc(c(c(c1)C)OC)C)OC)OC)OC)OC
• Canonical SMILES: COc1cc(OC)c(c(c1)P(c1cc(C)c(c(c1)C)OC)c1cc(C)c(c(c1)C)OC)c1c(OC)cc(cc1P(c1cc(C)c(c(c1)C)OC)c1cc(C)c(c(c1)C)OC)OC
• InChI: InChI=1S/C52H60O8P2/c1-29-17-39(18-30(2)49(29)57-13)61(40-19-31(3)50(58-14)32(4)20-40)45-27-37(53-9)25-43(55-11)47(45)48-44(56-12)26-38(54-10)28-46(48)62(41-21-33(5)51(59-15)34(6)22-41)42-23-35(7)52(60-16)36(8)24-42/h17-28H,1-16H3
• InChIKey: PKHREKHNGLJKHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{2-[bis(4-methoxy-3,5-dimethylphenyl)phosphanyl]-4,6-dimethoxyphenyl}-3,5-dimethoxyphenyl)bis(4-methoxy-3,5-dimethylphenyl)phosphane
• IUPAC Traditional name: (2-{2-[bis(4-methoxy-3,5-dimethylphenyl)phosphanyl]-4,6-dimethoxyphenyl}-3,5-dimethoxyphenyl)bis(4-methoxy-3,5-dimethylphenyl)phosphane
• Synonyms: (R)-DMM-Garphos; (R)-(4,4',6,6'-Tetramethoxybiphenyl-2,2'-diyl)bis[bis(4-methoxy-3,5-dimethylphenyl)phosphine]; (R)-2,2'-Bis[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-4,4',6,6'-tetramethoxybiphenyl; (S)-DMM-Garphos; (S)-(4,4',6,6'-Tetramethoxybiphenyl-2,2'-diyl)bis[bis(4-methoxy-3,5-dimethylphenyl)phosphine]; (S)-2,2'-Bis[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-4,4',6,6'-tetramethoxybiphenyl

Database IDs

• CAS Number: 1365531-94-7; 1365531-93-6
• MDL Number: MFCD19443626

CALCULATED PROPERTIES

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 11.567
• LogD (pH = 7.4): 11.567
• Log P: 11.567
• Molar Refractivity: 254.3592 cm^3
• Polarizability: 99.3539 Å^3
• Polar Surface Area: 73.84 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97+%