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

C28H29ClO4P2 — CID 157197729

IUPAC[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;perchloric acid
SMILESC[C@@H]([C@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C28H28P2.ClHO4/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;2-1(3,4)5/h3-24H,1-2H3;(H,2,3,4,5)/t23-,24-;/m0./s1
InChIKeyAQLCGTYBMJNLRY-UKOKCHKQSA-N
MW526.94 g/mol
LogP1.91
Rot. Bonds7

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

[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;perchloric acid (PubChem CID 157197729) has the molecular formula C28H29ClO4P2 and a molecular weight of 526.94 g/mol. Its IUPAC name is [(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;perchloric acid.

Molecular Properties

Compound Name[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;perchloric acid
PubChem CID157197729
Molecular FormulaC28H29ClO4P2
Molecular Weight526.94 g/mol
Exact Mass526.12
IUPAC Name[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;perchloric acid
SMILESC[C@@H]([C@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C28H28P2.ClHO4/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;2-1(3,4)5/h3-24H,1-2H3;(H,2,3,4,5)/t23-,24-;/m0./s1
InChIKeyAQLCGTYBMJNLRY-UKOKCHKQSA-N
XLogP1.91
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.94
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;perchloric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
dichlorocobalt;[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 11364946
dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 88642037
(5-diphenylphosphanyl-3,4-diphenylhexan-2-yl)-diphenylphosphane
CID 23403284
2-diphenylphosphanylpropanoic acid
CID 14902743
disodium;3-[phenyl-[3-[phenyl-(3-sulfonatophenyl)phosphanyl]butan-2-yl]phosphanyl]benzenesulfonate
CID 14647533
bis(benzonitrile);[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;bis(hexafluoroantimony(1-));palladium(2+)
CID 16688910
dimethyl(diphenyl)phosphanium perchlorate
CID 71333893
1-diphenylphosphanylethanesulfonic acid
CID 19437390
(2-bromophenyl)-phenyl-propan-2-ylphosphane
CID 62705964
bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide
CID 11446268
2-diphenylphosphanylethane-1,1,2-triol
CID 174746690

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;perchloric acid?
The IUPAC name of [(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;perchloric acid (CID 157197729) is [(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;perchloric acid.
What is the SMILES notation for [(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;perchloric acid?
The canonical SMILES for [(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;perchloric acid is C[C@@H]([C@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of [(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;perchloric acid?
The InChIKey is AQLCGTYBMJNLRY-UKOKCHKQSA-N. The full InChI is InChI=1S/C28H28P2.ClHO4/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;2-1(3,4)5/h3-24H,1-2H3;(H,2,3,4,5)/t23-,24-;/m0./s1.
What are the key properties of [(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;perchloric acid?
[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;perchloric acid has a molecular weight of 526.94 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane;perchloric acid is sourced from PubChem (CID 157197729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).