[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane

C28H28P2 — CID 10113249

IUPAC[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
SMILESC[C@@H]([C@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28P2/c1-23(29(25-15-7-3-8-16-25)26-17-9-4-10-18-26)24(2)30(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-24H,1-2H3/t23-,24-/m0/s1
InChIKeyFWXAUDSWDBGCMN-ZEQRLZLVSA-N
MW426.48 g/mol
LogP6.03
Rot. Bonds7

About [(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane

[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane (PubChem CID 10113249) has the molecular formula C28H28P2 and a molecular weight of 426.48 g/mol. Its IUPAC name is [(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
PubChem CID10113249
Molecular FormulaC28H28P2
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
SMILESC[C@@H]([C@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28P2/c1-23(29(25-15-7-3-8-16-25)26-17-9-4-10-18-26)24(2)30(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-24H,1-2H3/t23-,24-/m0/s1
InChIKeyFWXAUDSWDBGCMN-ZEQRLZLVSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Triphenylphosphine
CID 11776
Sodium Tetraphenylborate
CID 2723787
Benzyltriphenylphosphonium chloride
CID 70671
Methyltriphenyliphosphonium bromide
CID 74505
Tetraphenylphosphonium
CID 164912
Tetrakis(triphenylphosphine)palladium
CID 11979704
Tetraphenyltin
CID 61146
Tetraphenyllead
CID 72906
Stryker's reagent
CID 11982471
Tetraphenylantimony Bromide
CID 88914
Butyltriphenylphosphonium bromide
CID 159628
Phosphonium, ethyltriphenyl-, bromide (1:1)
CID 73727

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane?
The IUPAC name of [(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane (CID 10113249) is [(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane.
What is the SMILES notation for [(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane?
The canonical SMILES for [(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane is C[C@@H]([C@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane?
The InChIKey is FWXAUDSWDBGCMN-ZEQRLZLVSA-N. The full InChI is InChI=1S/C28H28P2/c1-23(29(25-15-7-3-8-16-25)26-17-9-4-10-18-26)24(2)30(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-24H,1-2H3/t23-,24-/m0/s1.
What are the key properties of [(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane?
[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane has a molecular weight of 426.48 g/mol, XLogP of 6.03, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane is sourced from PubChem (CID 10113249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).