Synonyms
S-PHOS
IUPAC Name
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane
Molecular Weight
410.53
Molecular Formula
C26H35O2P
Canonical SMILES
COC1=C(C(=CC=C1)OC)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4;
InChI
VNFWTIYUKDMAOP-UHFFFAOYSA-N
InChI Key
InChI=1S/C26H35O2P/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h9-11,16-21H,3-8,12-15H2,1-2H3
Boiling Point
513.3±40.0 °C(Predicted)
Melting Point
164-166 °C
Purity
98%
Appearance
Solid
Storage
Refrigerated.
Complexity
441
Covalently-Bonded Unit Count
1
Exact Mass
410.237g/mol
H-Bond Acceptor
2
Heavy Atom Count
29
Isomeric SMILES
COC1=C(C(=CC=C1)OC)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4
Monoisotopic Mass
410.237g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
18.5A^2
UNII
XI1MQ32186
