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Josiphos SL-J404-2

CAT: 0024-sc-235444Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-235444Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
851308-41-3

Chemical Information

(S)-1-{(RP)-2-[Di(1-naphthyl)phosphino]ferrocenyl}ethyldi(3,5-xylyl)phosphine
CAS Number851308-41-3
PubChem CID117064366
IUPAC Namebis(3,5-dimethylphenyl)-[(1S)-1-(2-dinaphthalen-1-ylphosphanylcyclopentyl)ethyl]phosphane;cyclopentane;iron
Molecular FormulaC48H54FeP2
Molecular Weight748.7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count7
Heavy Atom Count51
Formal Charge0
Complexity862
SMILES
CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)[C@@H](C)C3CCCC3P(C4=CC=CC5=CC=CC=C54)C6=CC=CC7=CC=CC=C76)C.C1CCCC1.[Fe]
InChI
InChI=1S/C43H44P2.C5H10.Fe/c1-29-23-30(2)26-36(25-29)44(37-27-31(3)24-32(4)28-37)33(5)38-19-12-22-41(38)45(42-20-10-15-34-13-6-8-17-39(34)42)43-21-11-16-35-14-7-9-18-40(35)43;1-2-4-5-3-1;/h6-11,13-18,20-21,23-28,33,38,41H,12,19,22H2,1-5H3;1-5H2;/t33-,38?,41?;;/m0../s1
InChIKey
IWQSRCJVJZWHFY-VUHOYTSKSA-N
Chemical Structure
2D Structure
2D structure of (S)-1-{(RP)-2-[Di(1-naphthyl)phosphino]ferrocenyl}ethyldi(3,5-xylyl)phosphine
CAS: 851308-41-3
CID: 117064366
Formula: C48H54FeP2
MW: 748.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight748.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count7
Exact Mass748.305011
Monoisotopic Mass748.305011
Topological Polar Surface Area0 Ų
Heavy Atom Count51
Formal Charge0
Complexity862
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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