[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-iodo-methyl-diphenyl-λ5-phosphane

C32H35IO2P2 — CID 15865947

IUPAC[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-iodo-methyl-diphenyl-λ5-phosphane
SMILESCC1(C)O[C@@H](CP(c2ccccc2)c2ccccc2)[C@H](CP(C)(I)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C32H35IO2P2/c1-32(2)34-30(24-36(26-16-8-4-9-17-26)27-18-10-5-11-19-27)31(35-32)25-37(3,33,28-20-12-6-13-21-28)29-22-14-7-15-23-29/h4-23,30-31H,24-25H2,1-3H3/t30-,31-/m0/s1
InChIKeyNZCSRANDAIEXCG-CONSDPRKSA-N
MW640.48 g/mol
LogP6.82
Rot. Bonds8

About [(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-iodo-methyl-diphenyl-λ5-phosphane

[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-iodo-methyl-diphenyl-λ5-phosphane (PubChem CID 15865947) has the molecular formula C32H35IO2P2 and a molecular weight of 640.48 g/mol. Its IUPAC name is [(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-iodo-methyl-diphenyl-λ5-phosphane.

Molecular Properties

Compound Name[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-iodo-methyl-diphenyl-λ5-phosphane
PubChem CID15865947
Molecular FormulaC32H35IO2P2
Molecular Weight640.48 g/mol
Exact Mass640.12
IUPAC Name[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-iodo-methyl-diphenyl-λ5-phosphane
SMILESCC1(C)O[C@@H](CP(c2ccccc2)c2ccccc2)[C@H](CP(C)(I)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C32H35IO2P2/c1-32(2)34-30(24-36(26-16-8-4-9-17-26)27-18-10-5-11-19-27)31(35-32)25-37(3,33,28-20-12-6-13-21-28)29-22-14-7-15-23-29/h4-23,30-31H,24-25H2,1-3H3/t30-,31-/m0/s1
InChIKeyNZCSRANDAIEXCG-CONSDPRKSA-N
XLogP6.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.48
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-iodo-methyl-diphenyl-λ5-phosphane?
The IUPAC name of [(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-iodo-methyl-diphenyl-λ5-phosphane (CID 15865947) is [(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-iodo-methyl-diphenyl-λ5-phosphane.
What is the SMILES notation for [(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-iodo-methyl-diphenyl-λ5-phosphane?
The canonical SMILES for [(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-iodo-methyl-diphenyl-λ5-phosphane is CC1(C)O[C@@H](CP(c2ccccc2)c2ccccc2)[C@H](CP(C)(I)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of [(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-iodo-methyl-diphenyl-λ5-phosphane?
The InChIKey is NZCSRANDAIEXCG-CONSDPRKSA-N. The full InChI is InChI=1S/C32H35IO2P2/c1-32(2)34-30(24-36(26-16-8-4-9-17-26)27-18-10-5-11-19-27)31(35-32)25-37(3,33,28-20-12-6-13-21-28)29-22-14-7-15-23-29/h4-23,30-31H,24-25H2,1-3H3/t30-,31-/m0/s1.
What are the key properties of [(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-iodo-methyl-diphenyl-λ5-phosphane?
[(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-iodo-methyl-diphenyl-λ5-phosphane has a molecular weight of 640.48 g/mol, XLogP of 6.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-iodo-methyl-diphenyl-λ5-phosphane is sourced from PubChem (CID 15865947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).