2-[[[2-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-methyloxolan-3-ol

C12H22O7PS- — CID 22894603

IUPAC2-[[[2-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-methyloxolan-3-ol
SMILESCC1CC(O)C(COP([O-])(=S)OC2CC(C)OC2CO)O1
InChIInChI=1S/C12H23O7PS/c1-7-3-9(14)12(18-7)6-16-20(15,21)19-10-4-8(2)17-11(10)5-13/h7-14H,3-6H2,1-2H3,(H,15,21)/p-1
InChIKeyXPIWXWQIQNZXBS-UHFFFAOYSA-M
MW341.34 g/mol
LogP-0.32
Rot. Bonds6

About 2-[[[2-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-methyloxolan-3-ol

2-[[[2-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-methyloxolan-3-ol (PubChem CID 22894603) has the molecular formula C12H22O7PS- and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-[[[2-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-methyloxolan-3-ol.

Molecular Properties

Compound Name2-[[[2-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-methyloxolan-3-ol
PubChem CID22894603
Molecular FormulaC12H22O7PS-
Molecular Weight341.34 g/mol
Exact Mass341.08
IUPAC Name2-[[[2-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-methyloxolan-3-ol
SMILESCC1CC(O)C(COP([O-])(=S)OC2CC(C)OC2CO)O1
InChIInChI=1S/C12H23O7PS/c1-7-3-9(14)12(18-7)6-16-20(15,21)19-10-4-8(2)17-11(10)5-13/h7-14H,3-6H2,1-2H3,(H,15,21)/p-1
InChIKeyXPIWXWQIQNZXBS-UHFFFAOYSA-M
XLogP-0.32
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[[[2-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-methyloxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[hydroxy-[2-(hydroxymethyl)-5-methyloxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-methyloxolan-3-ol
CID 22894604
CID 161101261
CID 161101261
(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59795765
(2R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 88979913
(2R,3R,4R,5S)-2-(methoxymethyl)-4-[[(3S,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-methyloxolan-3-ol
CID 165043855
(3-hydroxy-5-methyloxolan-2-yl)methyl dihydrogen phosphate
CID 23594182
1-[(2R,4S,5R)-4-hydroxy-5-[[[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione;tetrabutylazanium
CID 10941796
CID 161264357
CID 161264357
CID 159544655
CID 159544655
hydroxy-[[[[(2R,5S)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]methyl]phosphinate
CID 159122969
(3S,4S)-2-(hydroxymethyl)-6-methyloxane-3,4-diol
CID 89372248
(3-ethoxy-5-methyloxolan-2-yl)methanol
CID 59687260

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-methyloxolan-3-ol?
The IUPAC name of 2-[[[2-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-methyloxolan-3-ol (CID 22894603) is 2-[[[2-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-methyloxolan-3-ol.
What is the SMILES notation for 2-[[[2-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-methyloxolan-3-ol?
The canonical SMILES for 2-[[[2-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-methyloxolan-3-ol is CC1CC(O)C(COP([O-])(=S)OC2CC(C)OC2CO)O1.
What is the InChIKey of 2-[[[2-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-methyloxolan-3-ol?
The InChIKey is XPIWXWQIQNZXBS-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H23O7PS/c1-7-3-9(14)12(18-7)6-16-20(15,21)19-10-4-8(2)17-11(10)5-13/h7-14H,3-6H2,1-2H3,(H,15,21)/p-1.
What are the key properties of 2-[[[2-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-methyloxolan-3-ol?
2-[[[2-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-methyloxolan-3-ol has a molecular weight of 341.34 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-methyloxolan-3-ol is sourced from PubChem (CID 22894603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).