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Mandyphos SL-M009-1

CAT: 0024-sc-235569ASize: 500 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-235569ASize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
793718-16-8

Chemical Information

(S,S)-(-)-2,2'-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1'-bis(DI(3,5-dimethylphenyl)phosphino)ferrocene
CAS Number793718-16-8
PubChem CID16218475
Molecular FormulaC60H66FeN2P2
Molecular Weight933.0
Topological Polar Surface Area6.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Heavy Atom Count65
Formal Charge0
Complexity614
SMILES
CC1=CC(=CC(=C1)P(C2=CC=C[C]2[C@@H](C3=CC=CC=C3)N(C)C)C4=CC(=CC(=C4)C)C)C.CC1=CC(=CC(=C1)P(C2=CC=C[C]2[C@@H](C3=CC=CC=C3)N(C)C)C4=CC(=CC(=C4)C)C)C.[Fe]
InChI
InChI=1S/2C30H33NP.Fe/c2*1-21-15-22(2)18-26(17-21)32(27-19-23(3)16-24(4)20-27)29-14-10-13-28(29)30(31(5)6)25-11-8-7-9-12-25;/h2*7-20,30H,1-6H3;/t2*30-;/m11./s1
InChIKey
YUERARBCLXUXCP-LJXMUBMNSA-N
Chemical Structure
2D Structure
2D structure of (S,S)-(-)-2,2'-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1'-bis(DI(3,5-dimethylphenyl)phosphino)ferrocene
CAS: 793718-16-8
CID: 16218475
Formula: C60H66FeN2P2
MW: 933.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight933.0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Exact Mass932.405060
Monoisotopic Mass932.405060
Topological Polar Surface Area6.5 Ų
Heavy Atom Count65
Formal Charge0
Complexity614
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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