(2-{2-[bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphanyl]-4,6-dimethoxyphenyl}-3,5-dimethoxyphenyl)bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphane

• ChemBase ID: 301210
• Molecular Formular: C76H108O8P2
• Molecular Mass: 1211.613442
• Monoisotopic Mass: 1210.75194368
• SMILES: c1(cc(c(c(c1)P(c1cc(c(c(c1)C(C)(C)C)OC)C(C)(C)C)c1cc(c(c(c1)C(C)(C)C)OC)C(C)(C)C)c1c(cc(cc1P(c1cc(c(c(c1)C(C)(C)C)OC)C(C)(C)C)c1cc(c(c(c1)C(C)(C)C)OC)C(C)(C)C)OC)OC)OC)OC
• Canonical SMILES: COc1cc(OC)c(c(c1)P(c1cc(c(c(c1)C(C)(C)C)OC)C(C)(C)C)c1cc(c(c(c1)C(C)(C)C)OC)C(C)(C)C)c1c(OC)cc(cc1P(c1cc(c(c(c1)C(C)(C)C)OC)C(C)(C)C)c1cc(c(c(c1)C(C)(C)C)OC)C(C)(C)C)OC
• InChI: InChI=1S/C76H108O8P2/c1-69(2,3)51-37-47(38-52(65(51)81-29)70(4,5)6)85(48-39-53(71(7,8)9)66(82-30)54(40-48)72(10,11)12)61-35-45(77-25)33-59(79-27)63(61)64-60(80-28)34-46(78-26)36-62(64)86(49-41-55(73(13,14)15)67(83-31)56(42-49)74(16,17)18)50-43-57(75(19,20)21)68(84-32)58(44-50)76(22,23)24/h33-44H,1-32H3
• InChIKey: KACYLFSRRUJDSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1365531-98-1; 1365531-99-2
• MDL Number: MFCD20265636

CALCULATED PROPERTIES

• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): 20.847
• LogD (pH = 7.4): 20.847
• Log P: 20.847
• Molar Refractivity: 363.3568 cm^3
• Polarizability: 143.61546 Å^3
• Polar Surface Area: 73.84 Å^2
• Rotatable Bonds: 22
• 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+%