[(R)-diethoxyphosphoryl(phenyl)methoxy]-[(S)-diethoxyphosphoryl(phenyl)methoxy]-phenyl-sulfanylidene-λ5-phosphane

C28H37O8P3S — CID 23420114

IUPAC[(R)-diethoxyphosphoryl(phenyl)methoxy]-[(S)-diethoxyphosphoryl(phenyl)methoxy]-phenyl-sulfanylidene-λ5-phosphane
SMILESCCOP(=O)(OCC)[C@H](OP(=S)(O[C@@H](c1ccccc1)P(=O)(OCC)OCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H37O8P3S/c1-5-31-37(29,32-6-2)27(24-18-12-9-13-19-24)35-39(40,26-22-16-11-17-23-26)36-28(25-20-14-10-15-21-25)38(30,33-7-3)34-8-4/h9-23,27-28H,5-8H2,1-4H3/t27-,28+,39?
InChIKeyOCYXGIHLFYEQQM-ZUNFDWEASA-N
MW626.59 g/mol
LogP8.58
Rot. Bonds17

About [(R)-diethoxyphosphoryl(phenyl)methoxy]-[(S)-diethoxyphosphoryl(phenyl)methoxy]-phenyl-sulfanylidene-λ5-phosphane

[(R)-diethoxyphosphoryl(phenyl)methoxy]-[(S)-diethoxyphosphoryl(phenyl)methoxy]-phenyl-sulfanylidene-λ5-phosphane (PubChem CID 23420114) has the molecular formula C28H37O8P3S and a molecular weight of 626.59 g/mol. Its IUPAC name is [(R)-diethoxyphosphoryl(phenyl)methoxy]-[(S)-diethoxyphosphoryl(phenyl)methoxy]-phenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[(R)-diethoxyphosphoryl(phenyl)methoxy]-[(S)-diethoxyphosphoryl(phenyl)methoxy]-phenyl-sulfanylidene-λ5-phosphane
PubChem CID23420114
Molecular FormulaC28H37O8P3S
Molecular Weight626.59 g/mol
Exact Mass626.14
IUPAC Name[(R)-diethoxyphosphoryl(phenyl)methoxy]-[(S)-diethoxyphosphoryl(phenyl)methoxy]-phenyl-sulfanylidene-λ5-phosphane
SMILESCCOP(=O)(OCC)[C@H](OP(=S)(O[C@@H](c1ccccc1)P(=O)(OCC)OCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H37O8P3S/c1-5-31-37(29,32-6-2)27(24-18-12-9-13-19-24)35-39(40,26-22-16-11-17-23-26)36-28(25-20-14-10-15-21-25)38(30,33-7-3)34-8-4/h9-23,27-28H,5-8H2,1-4H3/t27-,28+,39?
InChIKeyOCYXGIHLFYEQQM-ZUNFDWEASA-N
XLogP8.58
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.59
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

bis(diethoxyphosphoryl)methylbenzene
CID 11132243
[(R)-diethoxyphosphoryl(diphenylphosphoryl)methyl]benzene
CID 98516755
[diethoxyphosphoryl(methylsulfonyl)methyl]benzene
CID 14930742
1-[ethoxy(phenyl)phosphoryl]ethylbenzene
CID 11778094
2-diethoxyphosphoryl-2-phenylethanamine
CID 14418072
[[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene
CID 10449767
[(1R)-1-diethoxyphosphoryl-2-nitroethyl]benzene
CID 7031986
diethyl [(1S)-1-phenylethyl] phosphate
CID 10945101
1-diethoxyphosphoryl-N-diphenylphosphorylpropan-1-amine
CID 177454957
dibutoxy-phenyl-sulfanylidene-lambda5-phosphane
CID 10968132
N-[diethoxyphosphoryl(phenyl)methyl]-2-methylsulfanylaniline
CID 102431976
(1-diethoxyphosphoryl-2-nitropropyl)benzene
CID 10017727

Frequently Asked Questions

What is the IUPAC name of [(R)-diethoxyphosphoryl(phenyl)methoxy]-[(S)-diethoxyphosphoryl(phenyl)methoxy]-phenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of [(R)-diethoxyphosphoryl(phenyl)methoxy]-[(S)-diethoxyphosphoryl(phenyl)methoxy]-phenyl-sulfanylidene-λ5-phosphane (CID 23420114) is [(R)-diethoxyphosphoryl(phenyl)methoxy]-[(S)-diethoxyphosphoryl(phenyl)methoxy]-phenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [(R)-diethoxyphosphoryl(phenyl)methoxy]-[(S)-diethoxyphosphoryl(phenyl)methoxy]-phenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for [(R)-diethoxyphosphoryl(phenyl)methoxy]-[(S)-diethoxyphosphoryl(phenyl)methoxy]-phenyl-sulfanylidene-λ5-phosphane is CCOP(=O)(OCC)[C@H](OP(=S)(O[C@@H](c1ccccc1)P(=O)(OCC)OCC)c1ccccc1)c1ccccc1.
What is the InChIKey of [(R)-diethoxyphosphoryl(phenyl)methoxy]-[(S)-diethoxyphosphoryl(phenyl)methoxy]-phenyl-sulfanylidene-λ5-phosphane?
The InChIKey is OCYXGIHLFYEQQM-ZUNFDWEASA-N. The full InChI is InChI=1S/C28H37O8P3S/c1-5-31-37(29,32-6-2)27(24-18-12-9-13-19-24)35-39(40,26-22-16-11-17-23-26)36-28(25-20-14-10-15-21-25)38(30,33-7-3)34-8-4/h9-23,27-28H,5-8H2,1-4H3/t27-,28+,39?.
What are the key properties of [(R)-diethoxyphosphoryl(phenyl)methoxy]-[(S)-diethoxyphosphoryl(phenyl)methoxy]-phenyl-sulfanylidene-λ5-phosphane?
[(R)-diethoxyphosphoryl(phenyl)methoxy]-[(S)-diethoxyphosphoryl(phenyl)methoxy]-phenyl-sulfanylidene-λ5-phosphane has a molecular weight of 626.59 g/mol, XLogP of 8.58, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-diethoxyphosphoryl(phenyl)methoxy]-[(S)-diethoxyphosphoryl(phenyl)methoxy]-phenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23420114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).