Name: Name:2-[(1S)-7'-[Bis[3,5-bis(1,1-dimethylethyl)phenyl]phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydrooxazole
Brand: Angene
SKU: AG00395G
Rating: 90 (10 reviews)

2-[(1S)-7'-[Bis[3,5-bis(1,1-dimethylethyl)phenyl]phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydrooxazole

CAS No.:

1040274-18-7

Catalog Number:

AG00395G

Molecular Formula:

C48H60NOP

Molecular Weight:

697.9699

Catalog Number:

AG00395G

Chemical Name:

2-[(1S)-7'-[Bis[3,5-bis(1,1-dimethylethyl)phenyl]phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydrooxazole

CAS Number:

1040274-18-7

Molecular Formula:

C48H60NOP

Molecular Weight:

697.9699

MDL Number:

MFCD21362521

IUPAC Name:

bis(3,5-ditert-butylphenyl)-[(3S)-4-(4,5-dihydro-1,3-oxazol-2-yl)-3,3'-spirobi[1,2-dihydroindene]-4'-yl]phosphane

InChI:

InChI=1S/C48H60NOP/c1-44(2,3)33-25-34(45(4,5)6)28-37(27-33)51(38-29-35(46(7,8)9)26-36(30-38)47(10,11)12)40-18-14-16-32-20-22-48(42(32)40)21-19-31-15-13-17-39(41(31)48)43-49-23-24-50-43/h13-18,25-30H,19-24H2,1-12H3/t48-/m0/s1

InChI Key:

FMGYAZLRTVWJGN-DYVQZXGMSA-N

SMILES:

CC(c1cc(cc(c1)C(C)(C)C)P(c1cccc2c1[C@]1(CC2)CCc2c1c(ccc2)C1=NCCO1)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(C)C

Complexity:

1150

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

697.441g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

697.988g/mol

Monoisotopic Mass:

697.441g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

21.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

13.7