[(3R,4R)-4-diphenylphosphanyloxyoxolan-3-yl]oxy-diphenylphosphane

C28H26O3P2 — CID 11488268

IUPAC[(3R,4R)-4-diphenylphosphanyloxyoxolan-3-yl]oxy-diphenylphosphane
SMILESc1ccc(P(O[C@@H]2COC[C@H]2OP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H26O3P2/c1-5-13-23(14-6-1)32(24-15-7-2-8-16-24)30-27-21-29-22-28(27)31-33(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-28H,21-22H2/t27-,28-/m1/s1
InChIKeyZEXFYIQVMACVGZ-VSGBNLITSA-N
MW472.46 g/mol
LogP4.88
Rot. Bonds8

About [(3R,4R)-4-diphenylphosphanyloxyoxolan-3-yl]oxy-diphenylphosphane

[(3R,4R)-4-diphenylphosphanyloxyoxolan-3-yl]oxy-diphenylphosphane (PubChem CID 11488268) has the molecular formula C28H26O3P2 and a molecular weight of 472.46 g/mol. Its IUPAC name is [(3R,4R)-4-diphenylphosphanyloxyoxolan-3-yl]oxy-diphenylphosphane.

Molecular Properties

Compound Name[(3R,4R)-4-diphenylphosphanyloxyoxolan-3-yl]oxy-diphenylphosphane
PubChem CID11488268
Molecular FormulaC28H26O3P2
Molecular Weight472.46 g/mol
Exact Mass472.14
IUPAC Name[(3R,4R)-4-diphenylphosphanyloxyoxolan-3-yl]oxy-diphenylphosphane
SMILESc1ccc(P(O[C@@H]2COC[C@H]2OP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H26O3P2/c1-5-13-23(14-6-1)32(24-15-7-2-8-16-24)30-27-21-29-22-28(27)31-33(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-28H,21-22H2/t27-,28-/m1/s1
InChIKeyZEXFYIQVMACVGZ-VSGBNLITSA-N
XLogP4.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.46
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-diphenylphosphanyloxyoxolan-3-yl]oxy-diphenylphosphane?
The IUPAC name of [(3R,4R)-4-diphenylphosphanyloxyoxolan-3-yl]oxy-diphenylphosphane (CID 11488268) is [(3R,4R)-4-diphenylphosphanyloxyoxolan-3-yl]oxy-diphenylphosphane.
What is the SMILES notation for [(3R,4R)-4-diphenylphosphanyloxyoxolan-3-yl]oxy-diphenylphosphane?
The canonical SMILES for [(3R,4R)-4-diphenylphosphanyloxyoxolan-3-yl]oxy-diphenylphosphane is c1ccc(P(O[C@@H]2COC[C@H]2OP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(3R,4R)-4-diphenylphosphanyloxyoxolan-3-yl]oxy-diphenylphosphane?
The InChIKey is ZEXFYIQVMACVGZ-VSGBNLITSA-N. The full InChI is InChI=1S/C28H26O3P2/c1-5-13-23(14-6-1)32(24-15-7-2-8-16-24)30-27-21-29-22-28(27)31-33(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-28H,21-22H2/t27-,28-/m1/s1.
What are the key properties of [(3R,4R)-4-diphenylphosphanyloxyoxolan-3-yl]oxy-diphenylphosphane?
[(3R,4R)-4-diphenylphosphanyloxyoxolan-3-yl]oxy-diphenylphosphane has a molecular weight of 472.46 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-diphenylphosphanyloxyoxolan-3-yl]oxy-diphenylphosphane is sourced from PubChem (CID 11488268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).