Name: Name:(S)-5,5'-Bis[di(3,5-di-tert-butyl-4-methoxyphenyl)phosphino]-4,4'-bi-1,3-benzodioxole
Brand: Angene
SKU: AG002KLL
Rating: 90 (10 reviews)

(S)-5,5'-Bis[di(3,5-di-tert-butyl-4-methoxyphenyl)phosphino]-4,4'-bi-1,3-benzodioxole

CAS No.:

210169-40-7

Catalog Number:

AG002KLL

Molecular Formula:

C74H100O8P2

Molecular Weight:

1179.5285

Catalog Number:

AG002KLL

Chemical Name:

(S)-5,5'-Bis[di(3,5-di-tert-butyl-4-methoxyphenyl)phosphino]-4,4'-bi-1,3-benzodioxole

CAS Number:

210169-40-7

Molecular Formula:

C74H100O8P2

Molecular Weight:

1179.5285

MDL Number:

MFCD09753003

IUPAC Name:

[4-[5-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane

InChI:

InChI=1S/C74H100O8P2/c1-67(2,3)47-33-43(34-48(61(47)75-25)68(4,5)6)83(44-35-49(69(7,8)9)62(76-26)50(36-44)70(10,11)12)57-31-29-55-65(81-41-79-55)59(57)60-58(32-30-56-66(60)82-42-80-56)84(45-37-51(71(13,14)15)63(77-27)52(38-45)72(16,17)18)46-39-53(73(19,20)21)64(78-28)54(40-46)74(22,23)24/h29-40H,41-42H2,1-28H3

InChI Key:

ZNORAFJUESSLTM-UHFFFAOYSA-N

SMILES:

COc1c(cc(cc1C(C)(C)C)P(c1ccc2c(c1c1c3OCOc3ccc1P(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)OCO2)c1cc(c(c(c1)C(C)(C)C)OC)C(C)(C)C)C(C)(C)C

Complexity:

1750

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

1178.689g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

1179.554g/mol

Monoisotopic Mass:

1178.689g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

21.8