(4R)-4-[di(propan-2-yloxy)phosphorylmethylsulfanyl]-2-methoxyoxolane

C12H25O5PS — CID 54597982

IUPAC(4R)-4-[di(propan-2-yloxy)phosphorylmethylsulfanyl]-2-methoxyoxolane
SMILESCOC1C[C@@H](SCP(=O)(OC(C)C)OC(C)C)CO1
InChIInChI=1S/C12H25O5PS/c1-9(2)16-18(13,17-10(3)4)8-19-11-6-12(14-5)15-7-11/h9-12H,6-8H2,1-5H3/t11-,12?/m1/s1
InChIKeyQBDPDMHWGVGCAW-JHJMLUEUSA-N
MW312.37 g/mol
LogP3.48
Rot. Bonds8

About (4R)-4-[di(propan-2-yloxy)phosphorylmethylsulfanyl]-2-methoxyoxolane

(4R)-4-[di(propan-2-yloxy)phosphorylmethylsulfanyl]-2-methoxyoxolane (PubChem CID 54597982) has the molecular formula C12H25O5PS and a molecular weight of 312.37 g/mol. Its IUPAC name is (4R)-4-[di(propan-2-yloxy)phosphorylmethylsulfanyl]-2-methoxyoxolane.

Molecular Properties

Compound Name(4R)-4-[di(propan-2-yloxy)phosphorylmethylsulfanyl]-2-methoxyoxolane
PubChem CID54597982
Molecular FormulaC12H25O5PS
Molecular Weight312.37 g/mol
Exact Mass312.12
IUPAC Name(4R)-4-[di(propan-2-yloxy)phosphorylmethylsulfanyl]-2-methoxyoxolane
SMILESCOC1C[C@@H](SCP(=O)(OC(C)C)OC(C)C)CO1
InChIInChI=1S/C12H25O5PS/c1-9(2)16-18(13,17-10(3)4)8-19-11-6-12(14-5)15-7-11/h9-12H,6-8H2,1-5H3/t11-,12?/m1/s1
InChIKeyQBDPDMHWGVGCAW-JHJMLUEUSA-N
XLogP3.48
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[di(propan-2-yloxy)phosphorylmethylsulfanyl]-2-methoxyoxolane?
The IUPAC name of (4R)-4-[di(propan-2-yloxy)phosphorylmethylsulfanyl]-2-methoxyoxolane (CID 54597982) is (4R)-4-[di(propan-2-yloxy)phosphorylmethylsulfanyl]-2-methoxyoxolane.
What is the SMILES notation for (4R)-4-[di(propan-2-yloxy)phosphorylmethylsulfanyl]-2-methoxyoxolane?
The canonical SMILES for (4R)-4-[di(propan-2-yloxy)phosphorylmethylsulfanyl]-2-methoxyoxolane is COC1C[C@@H](SCP(=O)(OC(C)C)OC(C)C)CO1.
What is the InChIKey of (4R)-4-[di(propan-2-yloxy)phosphorylmethylsulfanyl]-2-methoxyoxolane?
The InChIKey is QBDPDMHWGVGCAW-JHJMLUEUSA-N. The full InChI is InChI=1S/C12H25O5PS/c1-9(2)16-18(13,17-10(3)4)8-19-11-6-12(14-5)15-7-11/h9-12H,6-8H2,1-5H3/t11-,12?/m1/s1.
What are the key properties of (4R)-4-[di(propan-2-yloxy)phosphorylmethylsulfanyl]-2-methoxyoxolane?
(4R)-4-[di(propan-2-yloxy)phosphorylmethylsulfanyl]-2-methoxyoxolane has a molecular weight of 312.37 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[di(propan-2-yloxy)phosphorylmethylsulfanyl]-2-methoxyoxolane is sourced from PubChem (CID 54597982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).