[(4R,5R)-4,5-bis(diphenylphosphanylmethyl)-2-phenyl-1,3-dioxolan-2-yl]methanol

C36H34O3P2 — CID 11103808

IUPAC[(4R,5R)-4,5-bis(diphenylphosphanylmethyl)-2-phenyl-1,3-dioxolan-2-yl]methanol
SMILESOCC1(c2ccccc2)O[C@@H](CP(c2ccccc2)c2ccccc2)[C@H](CP(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C36H34O3P2/c37-28-36(29-16-6-1-7-17-29)38-34(26-40(30-18-8-2-9-19-30)31-20-10-3-11-21-31)35(39-36)27-41(32-22-12-4-13-23-32)33-24-14-5-15-25-33/h1-25,34-35,37H,26-28H2/t34-,35-/m0/s1
InChIKeyKPRDKGMOWFGESP-PXLJZGITSA-N
MW576.61 g/mol
LogP5.88
Rot. Bonds10

About [(4R,5R)-4,5-bis(diphenylphosphanylmethyl)-2-phenyl-1,3-dioxolan-2-yl]methanol

[(4R,5R)-4,5-bis(diphenylphosphanylmethyl)-2-phenyl-1,3-dioxolan-2-yl]methanol (PubChem CID 11103808) has the molecular formula C36H34O3P2 and a molecular weight of 576.61 g/mol. Its IUPAC name is [(4R,5R)-4,5-bis(diphenylphosphanylmethyl)-2-phenyl-1,3-dioxolan-2-yl]methanol.

Molecular Properties

Compound Name[(4R,5R)-4,5-bis(diphenylphosphanylmethyl)-2-phenyl-1,3-dioxolan-2-yl]methanol
PubChem CID11103808
Molecular FormulaC36H34O3P2
Molecular Weight576.61 g/mol
Exact Mass576.20
IUPAC Name[(4R,5R)-4,5-bis(diphenylphosphanylmethyl)-2-phenyl-1,3-dioxolan-2-yl]methanol
SMILESOCC1(c2ccccc2)O[C@@H](CP(c2ccccc2)c2ccccc2)[C@H](CP(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C36H34O3P2/c37-28-36(29-16-6-1-7-17-29)38-34(26-40(30-18-8-2-9-19-30)31-20-10-3-11-21-31)35(39-36)27-41(32-22-12-4-13-23-32)33-24-14-5-15-25-33/h1-25,34-35,37H,26-28H2/t34-,35-/m0/s1
InChIKeyKPRDKGMOWFGESP-PXLJZGITSA-N
XLogP5.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.61
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(4R,5R)-4,5-bis(diphenylphosphanylmethyl)-2-phenyl-1,3-dioxolan-2-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-4,5-bis(diphenylphosphanylmethyl)-2-phenyl-1,3-dioxolan-2-yl]methanol?
The IUPAC name of [(4R,5R)-4,5-bis(diphenylphosphanylmethyl)-2-phenyl-1,3-dioxolan-2-yl]methanol (CID 11103808) is [(4R,5R)-4,5-bis(diphenylphosphanylmethyl)-2-phenyl-1,3-dioxolan-2-yl]methanol.
What is the SMILES notation for [(4R,5R)-4,5-bis(diphenylphosphanylmethyl)-2-phenyl-1,3-dioxolan-2-yl]methanol?
The canonical SMILES for [(4R,5R)-4,5-bis(diphenylphosphanylmethyl)-2-phenyl-1,3-dioxolan-2-yl]methanol is OCC1(c2ccccc2)O[C@@H](CP(c2ccccc2)c2ccccc2)[C@H](CP(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of [(4R,5R)-4,5-bis(diphenylphosphanylmethyl)-2-phenyl-1,3-dioxolan-2-yl]methanol?
The InChIKey is KPRDKGMOWFGESP-PXLJZGITSA-N. The full InChI is InChI=1S/C36H34O3P2/c37-28-36(29-16-6-1-7-17-29)38-34(26-40(30-18-8-2-9-19-30)31-20-10-3-11-21-31)35(39-36)27-41(32-22-12-4-13-23-32)33-24-14-5-15-25-33/h1-25,34-35,37H,26-28H2/t34-,35-/m0/s1.
What are the key properties of [(4R,5R)-4,5-bis(diphenylphosphanylmethyl)-2-phenyl-1,3-dioxolan-2-yl]methanol?
[(4R,5R)-4,5-bis(diphenylphosphanylmethyl)-2-phenyl-1,3-dioxolan-2-yl]methanol has a molecular weight of 576.61 g/mol, XLogP of 5.88, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-4,5-bis(diphenylphosphanylmethyl)-2-phenyl-1,3-dioxolan-2-yl]methanol is sourced from PubChem (CID 11103808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).