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λ2-iron(2+) ion 3-[(1S)-1-[(1R,4S)-bicyclo[2.2.1]heptan-2-yl(1S,4R)-bicyclo[2.2.1]heptan-2-ylphosphanyl]ethyl]-4-[2-(diphenylphosphanyl)phenyl]cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide
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ChemBase ID:
140755
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Molecular Formular:
C44H48FeP2
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Molecular Mass:
694.644442
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Monoisotopic Mass:
694.2580623
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SMILES and InChIs
SMILES:
C[C@@H](C1=C[CH-]C=C1c1ccccc1P(c1ccccc1)c1ccccc1)P(C1C[C@H]2CC[C@@H]1C2)C1C[C@@H]2CC[C@H]1C2.C1=C[CH-]C=C1.[Fe+2]
Canonical SMILES:
[CH-]1C=CC=C1.C[C@@H](C1=C[CH-]C=C1c1ccccc1P(c1ccccc1)c1ccccc1)P(C1C[C@@H]2C[C@H]1CC2)C1C[C@H]2C[C@@H]1CC2.[Fe+2]
InChI:
InChI=1S/C39H43P2.C5H5.Fe/c1-27(40(38-25-28-19-21-30(38)23-28)39-26-29-20-22-31(39)24-29)34-16-10-17-35(34)36-15-8-9-18-37(36)41(32-11-4-2-5-12-32)33-13-6-3-7-14-33;1-2-4-5-3-1;/h2-18,27-31,38-39H,19-26H2,1H3;1-5H;/q2*-1;+2/t27-,28-,29+,30+,31-,38?,39?,40?;;/m0../s1
InChIKey:
RDGYBXJBPSJRKW-FUCBVGRKSA-N
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Cite this record
CBID:140755 http://www.chembase.cn/molecule-140755.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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λ2-iron(2+) ion 3-[(1S)-1-[(1R,4S)-bicyclo[2.2.1]heptan-2-yl(1S,4R)-bicyclo[2.2.1]heptan-2-ylphosphanyl]ethyl]-4-[2-(diphenylphosphanyl)phenyl]cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide
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IUPAC Traditional name
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λ2-iron(2+) ion 3-[(1S)-1-[(1R,4S)-bicyclo[2.2.1]heptan-2-yl(1S,4R)-bicyclo[2.2.1]heptan-2-ylphosphanyl]ethyl]-4-[2-(diphenylphosphanyl)phenyl]cyclopenta-2,4-dien-1-ide cyclopentadienide
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Synonyms
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Walphos SL-W022-2
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(1R)-1-[(1S)-1-[Bis(bicyclo[2.2.1]hept-2-yl)phosphino]ethyl]-2-[2-(diphenylphosphino)phenyl]ferrocene (acc to CAS)
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(S)-1-{(SP)-2-[2-(Diphenylphosphino)phenyl]ferrocenyl}ethyldi(2-norbornyl)phosphine
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(1R)-1-[(1S)-1-[双(二环[2.2.1]庚-2-基)膦]乙基]-2-[2-(二苯基膦)苯基]二茂铁(符合 CAS 标准)
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(S)-1-{(SP)-2-[2-(二苯基膦)苯基]二茂铁基}乙基二(2-冰片基)膦
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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11.56153
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H Acceptors
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0
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H Donor
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0
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LogD (pH = 5.5)
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9.031409
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LogD (pH = 7.4)
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9.032156
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Log P
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10.3865
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Molar Refractivity
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179.6045 cm3
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Polarizability
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71.02915 Å3
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Polar Surface Area
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0.0 Å2
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Rotatable Bonds
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8
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Lipinski's Rule of Five
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false
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DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
65686
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General description sold in collaboration with Solvias AG Packaging 1, 5 g in glass bottle 100, 500 mg in glass bottle |
PATENTS
PATENTS
PubChem Patent
Google Patent