chempirical

(2S,4S)-(-)-2,4-Bis(diphenylphosphino)pentane

C29H30P2CAS 77876-39-2440.51 g/mol

Open in Covalent MOL file
PP
Phosphine

Properties

Molecular formula
C29H30P2
Molar mass
440.51 g/mol
Exact mass
440.1823 Da
logP
6.42Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
8
Stereocentres
S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
77876-39-2
SMILES
C[C@@H](C[C@H](C)P(C1=CC=CC=C1)C2=CC=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4
InChIKey
CTYPJIUQROQJBG-DQEYMECFSA-N
InChI
InChI=1S/C29H30P2/c1-24(30(26-15-7-3-8-16-26)27-17-9-4-10-18-27)23-25(2)31(28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22,24-25H,23H2,1-2H3/t24-,25-/m0/s1

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Names and synonyms

1 names
  • (2S,4S)-2,4-Bis(diphenylphosphino)pentane

Work with (2S,4S)-(-)-2,4-Bis(diphenylphosphino)pentane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1′-[(1R)-1-Methyl-1,2-ethanediyl]bis[diphenylphosphine]67884-32-667 % similar (1-Methylethyl)diphenylphosphine6372-40-356 % similar 1,1′-[(1S,2S)-1,2-Dimethyl-1,2-ethanediyl]bis[1,1-diphenylphosphine]64896-28-256 % similar Cyclohexyldiphenylphosphine6372-42-545 % similar 1,3-Bis(diphenylphosphino)propane6737-42-441 % similar Diethylphenylphosphine1605-53-439 % similar Ethyldiphenylphosphine607-01-239 % similar Methyldiphenylphosphine1486-28-838 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,5-Bis(diphenylphosphino)pentane27721-02-4

Elsewhere

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