5-dimethoxyphosphoryl-2,5-dimethoxy-2-oxo-3-phenyl-1,2λ5-oxaphospholan-3-ol

C13H20O8P2 — CID 88823648

IUPAC5-dimethoxyphosphoryl-2,5-dimethoxy-2-oxo-3-phenyl-1,2λ5-oxaphospholan-3-ol
SMILESCOC1(P(=O)(OC)OC)CC(O)(c2ccccc2)P(=O)(OC)O1
InChIInChI=1S/C13H20O8P2/c1-17-13(23(16,19-3)20-4)10-12(14,22(15,18-2)21-13)11-8-6-5-7-9-11/h5-9,14H,10H2,1-4H3
InChIKeySUWLHYSQUOYOFZ-UHFFFAOYSA-N
MW366.24 g/mol
LogP2.88
Rot. Bonds6

About 5-dimethoxyphosphoryl-2,5-dimethoxy-2-oxo-3-phenyl-1,2λ5-oxaphospholan-3-ol

5-dimethoxyphosphoryl-2,5-dimethoxy-2-oxo-3-phenyl-1,2λ5-oxaphospholan-3-ol (PubChem CID 88823648) has the molecular formula C13H20O8P2 and a molecular weight of 366.24 g/mol. Its IUPAC name is 5-dimethoxyphosphoryl-2,5-dimethoxy-2-oxo-3-phenyl-1,2λ5-oxaphospholan-3-ol.

Molecular Properties

Compound Name5-dimethoxyphosphoryl-2,5-dimethoxy-2-oxo-3-phenyl-1,2λ5-oxaphospholan-3-ol
PubChem CID88823648
Molecular FormulaC13H20O8P2
Molecular Weight366.24 g/mol
Exact Mass366.06
IUPAC Name5-dimethoxyphosphoryl-2,5-dimethoxy-2-oxo-3-phenyl-1,2λ5-oxaphospholan-3-ol
SMILESCOC1(P(=O)(OC)OC)CC(O)(c2ccccc2)P(=O)(OC)O1
InChIInChI=1S/C13H20O8P2/c1-17-13(23(16,19-3)20-4)10-12(14,22(15,18-2)21-13)11-8-6-5-7-9-11/h5-9,14H,10H2,1-4H3
InChIKeySUWLHYSQUOYOFZ-UHFFFAOYSA-N
XLogP2.88
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-dimethoxyphosphoryl-2,5-dimethoxy-2-oxo-3-phenyl-1,2λ5-oxaphospholan-3-ol?
The IUPAC name of 5-dimethoxyphosphoryl-2,5-dimethoxy-2-oxo-3-phenyl-1,2λ5-oxaphospholan-3-ol (CID 88823648) is 5-dimethoxyphosphoryl-2,5-dimethoxy-2-oxo-3-phenyl-1,2λ5-oxaphospholan-3-ol.
What is the SMILES notation for 5-dimethoxyphosphoryl-2,5-dimethoxy-2-oxo-3-phenyl-1,2λ5-oxaphospholan-3-ol?
The canonical SMILES for 5-dimethoxyphosphoryl-2,5-dimethoxy-2-oxo-3-phenyl-1,2λ5-oxaphospholan-3-ol is COC1(P(=O)(OC)OC)CC(O)(c2ccccc2)P(=O)(OC)O1.
What is the InChIKey of 5-dimethoxyphosphoryl-2,5-dimethoxy-2-oxo-3-phenyl-1,2λ5-oxaphospholan-3-ol?
The InChIKey is SUWLHYSQUOYOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O8P2/c1-17-13(23(16,19-3)20-4)10-12(14,22(15,18-2)21-13)11-8-6-5-7-9-11/h5-9,14H,10H2,1-4H3.
What are the key properties of 5-dimethoxyphosphoryl-2,5-dimethoxy-2-oxo-3-phenyl-1,2λ5-oxaphospholan-3-ol?
5-dimethoxyphosphoryl-2,5-dimethoxy-2-oxo-3-phenyl-1,2λ5-oxaphospholan-3-ol has a molecular weight of 366.24 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dimethoxyphosphoryl-2,5-dimethoxy-2-oxo-3-phenyl-1,2λ5-oxaphospholan-3-ol is sourced from PubChem (CID 88823648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).