[(4S,5S)-5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylphosphane

C29H28O2P2 — CID 11754463

IUPAC[(4S,5S)-5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylphosphane
SMILESCC1(C)O[C@@H](P(c2ccccc2)c2ccccc2)[C@H](P(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C29H28O2P2/c1-29(2)30-27(32(23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(31-29)33(25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28H,1-2H3/t27-,28-/m0/s1
InChIKeyVIOPLOABZSDFIY-NSOVKSMOSA-N
MW470.49 g/mol
LogP5.69
Rot. Bonds6

About [(4S,5S)-5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylphosphane

[(4S,5S)-5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylphosphane (PubChem CID 11754463) has the molecular formula C29H28O2P2 and a molecular weight of 470.49 g/mol. Its IUPAC name is [(4S,5S)-5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylphosphane.

Molecular Properties

Compound Name[(4S,5S)-5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylphosphane
PubChem CID11754463
Molecular FormulaC29H28O2P2
Molecular Weight470.49 g/mol
Exact Mass470.16
IUPAC Name[(4S,5S)-5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylphosphane
SMILESCC1(C)O[C@@H](P(c2ccccc2)c2ccccc2)[C@H](P(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C29H28O2P2/c1-29(2)30-27(32(23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(31-29)33(25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28H,1-2H3/t27-,28-/m0/s1
InChIKeyVIOPLOABZSDFIY-NSOVKSMOSA-N
XLogP5.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.49
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylphosphane?
The IUPAC name of [(4S,5S)-5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylphosphane (CID 11754463) is [(4S,5S)-5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylphosphane.
What is the SMILES notation for [(4S,5S)-5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylphosphane?
The canonical SMILES for [(4S,5S)-5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylphosphane is CC1(C)O[C@@H](P(c2ccccc2)c2ccccc2)[C@H](P(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of [(4S,5S)-5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylphosphane?
The InChIKey is VIOPLOABZSDFIY-NSOVKSMOSA-N. The full InChI is InChI=1S/C29H28O2P2/c1-29(2)30-27(32(23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(31-29)33(25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28H,1-2H3/t27-,28-/m0/s1.
What are the key properties of [(4S,5S)-5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylphosphane?
[(4S,5S)-5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylphosphane has a molecular weight of 470.49 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-5-diphenylphosphanyl-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylphosphane is sourced from PubChem (CID 11754463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).