(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

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P501

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 Chiraphos64896-28-256 % 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

PubChem CAS Common Chemistry NIST WebBook