CAS 217175-10-5|CAS 260395-56-0|R, R-Reetz F-Diphosphonite|1,1′-Bis[(11bR)-dinaphtho[2,1-d:1′, 2′-f][1,3,2]dioxaphosphepin-4-yl]ferrocene|R, R-Reetz F-二亚磷酸酯|λ<sup>2</sup>-iron(2+) ion bis(3...

General Information

Structure

Molecular Formula

C₅₀H₇₂FeO₄P₂

Molecular Mass

854.896802

Exact Mass

854.42552154

Charge

InChI

InChI=1S/2C25H36O2P.Fe/c2*1-5-11-20-17(7-1)13-15-22-24(20)25-21-12-6-2-8-18(21)14-16-23(25)27-28(26-22)19-9-3-4-10-19;/h2*3-4,9-10,17-18,20-25H,1-2,5-8,11-16H2;/q2*-1;+2

InChIKey

GYKUOGGSXFAGPQ-UHFFFAOYSA-N

Canonic Smiles

C1CCC2C(C1)C1C(CC2)OP(OC2C1C1CCCCC1CC2)C1=C[CH-]C=C1.C1CCC2C(C1)C1C(CC2)OP(OC2C1C1CCCCC1CC2)C1=C[CH-]C=C1.[Fe+2]

Isomeric Smiles

C1CCC2C(C1)CCC1C2C2C3CCCCC3CCC2OP(O1)C1=C[CH-]C=C1.C1CCC2C(C1)CCC1C2C2C3CCCCC3CCC2OP(O1)C1=C[CH-]C=C1.[Fe+2]

Calculated Properties

JChem

Acid pKa

12.979082

H Acceptors

H Donor

LogD (pH = 5.5)

5.409422

LogD (pH = 7.4)

5.5339966

Log P

7.0654

Molar Refractivity

113.3865

Polarizability

45.953056

Polar Surface Area

18.46

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

R, R-Reetz F-DiphosphoniteR, R-Reetz F-二亚磷酸酯1,1′-Bis[(11bR)-dinaphtho[2,1-d:1′, 2′-f][1,3,2]dioxaphosphepin-4-yl]ferrocene1,1′-双[(11bR)-二萘并[2,1-d:1′, 2′-f][1,3,2]二噁磷杂庚英-4-基]二茂铁S,S-Reetz F-二亚磷酸酯1,1′-双[(11bS)-二萘并[2,1-d:1′, 2′-f][1,3,2]二噁磷杂庚英-4-基]二茂铁S,S-Reetz F-Diphosphonite1,1′-Bis[(11bS)-dinaphtho[2,1-d:1′, 2′-f][1,3,2]dioxaphosphepin-4-yl]ferrocene

IUPAC Traditional name

λ²-iron(2+) ion bis(3-{12,14-dioxa-13-phosphapentacyclo[13.8.0.0²,¹¹.0³,⁸.0¹⁸,²³]tricosan-13-yl}cyclopenta-2,4-dien-1-ide)

IUPAC name

λ²-iron(2+) ion bis(3-{12,14-dioxa-13-phosphapentacyclo[13.8.0.0²,¹¹.0³,⁸.0¹⁸,²³]tricosan-13-yl}cyclopenta-2,4-dien-1-ide)

Names and Identifiers

Registration numbers

CAS Number

217175-10-5260395-56-0

MDL Number

MFCD10566988

PubChem SID

162229978