[2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[(5-methyl-3-propan-2-yloxyoxolan-2-yl)methylsulfanyl]phosphinate

C18H34O8PS- — CID 22965122

IUPAC[2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[(5-methyl-3-propan-2-yloxyoxolan-2-yl)methylsulfanyl]phosphinate
SMILESCC(C)OCC1(O)OC(C)CC1OP(=O)([O-])SCC1OC(C)CC1OC(C)C
InChIInChI=1S/C18H35O8PS/c1-11(2)22-10-18(19)17(8-14(6)25-18)26-27(20,21)28-9-16-15(23-12(3)4)7-13(5)24-16/h11-17,19H,7-10H2,1-6H3,(H,20,21)/p-1
InChIKeyWLUVTESQOLXIBS-UHFFFAOYSA-M
MW441.50 g/mol
LogP2.47
Rot. Bonds10

About [2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[(5-methyl-3-propan-2-yloxyoxolan-2-yl)methylsulfanyl]phosphinate

[2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[(5-methyl-3-propan-2-yloxyoxolan-2-yl)methylsulfanyl]phosphinate (PubChem CID 22965122) has the molecular formula C18H34O8PS- and a molecular weight of 441.50 g/mol. Its IUPAC name is [2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[(5-methyl-3-propan-2-yloxyoxolan-2-yl)methylsulfanyl]phosphinate.

Molecular Properties

Compound Name[2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[(5-methyl-3-propan-2-yloxyoxolan-2-yl)methylsulfanyl]phosphinate
PubChem CID22965122
Molecular FormulaC18H34O8PS-
Molecular Weight441.50 g/mol
Exact Mass441.17
IUPAC Name[2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[(5-methyl-3-propan-2-yloxyoxolan-2-yl)methylsulfanyl]phosphinate
SMILESCC(C)OCC1(O)OC(C)CC1OP(=O)([O-])SCC1OC(C)CC1OC(C)C
InChIInChI=1S/C18H35O8PS/c1-11(2)22-10-18(19)17(8-14(6)25-18)26-27(20,21)28-9-16-15(23-12(3)4)7-13(5)24-16/h11-17,19H,7-10H2,1-6H3,(H,20,21)/p-1
InChIKeyWLUVTESQOLXIBS-UHFFFAOYSA-M
XLogP2.47
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[(5-methyl-3-propan-2-yloxyoxolan-2-yl)methylsulfanyl]phosphinate 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 [2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[(5-methyl-3-propan-2-yloxyoxolan-2-yl)methylsulfanyl]phosphinate?
The IUPAC name of [2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[(5-methyl-3-propan-2-yloxyoxolan-2-yl)methylsulfanyl]phosphinate (CID 22965122) is [2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[(5-methyl-3-propan-2-yloxyoxolan-2-yl)methylsulfanyl]phosphinate.
What is the SMILES notation for [2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[(5-methyl-3-propan-2-yloxyoxolan-2-yl)methylsulfanyl]phosphinate?
The canonical SMILES for [2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[(5-methyl-3-propan-2-yloxyoxolan-2-yl)methylsulfanyl]phosphinate is CC(C)OCC1(O)OC(C)CC1OP(=O)([O-])SCC1OC(C)CC1OC(C)C.
What is the InChIKey of [2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[(5-methyl-3-propan-2-yloxyoxolan-2-yl)methylsulfanyl]phosphinate?
The InChIKey is WLUVTESQOLXIBS-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H35O8PS/c1-11(2)22-10-18(19)17(8-14(6)25-18)26-27(20,21)28-9-16-15(23-12(3)4)7-13(5)24-16/h11-17,19H,7-10H2,1-6H3,(H,20,21)/p-1.
What are the key properties of [2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[(5-methyl-3-propan-2-yloxyoxolan-2-yl)methylsulfanyl]phosphinate?
[2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[(5-methyl-3-propan-2-yloxyoxolan-2-yl)methylsulfanyl]phosphinate has a molecular weight of 441.50 g/mol, XLogP of 2.47, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[(5-methyl-3-propan-2-yloxyoxolan-2-yl)methylsulfanyl]phosphinate is sourced from PubChem (CID 22965122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).