[(2S,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl-methyl-oxido-sulfanylidene-λ5-phosphane

C9H18O3PS- — CID 58974562

IUPAC[(2S,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl-methyl-oxido-sulfanylidene-λ5-phosphane
SMILESCOC[C@H]1O[C@@H](C)CC1CP(C)([O-])=S
InChIInChI=1S/C9H19O3PS/c1-7-4-8(6-13(3,10)14)9(12-7)5-11-2/h7-9H,4-6H2,1-3H3,(H,10,14)/p-1/t7-,8?,9+,13?/m0/s1
InChIKeyNHRWGKJEEIKXMB-RSAQKFLCSA-M
MW237.28 g/mol
LogP0.81
Rot. Bonds4

About [(2S,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl-methyl-oxido-sulfanylidene-λ5-phosphane

[(2S,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl-methyl-oxido-sulfanylidene-λ5-phosphane (PubChem CID 58974562) has the molecular formula C9H18O3PS- and a molecular weight of 237.28 g/mol. Its IUPAC name is [(2S,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl-methyl-oxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[(2S,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl-methyl-oxido-sulfanylidene-λ5-phosphane
PubChem CID58974562
Molecular FormulaC9H18O3PS-
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name[(2S,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl-methyl-oxido-sulfanylidene-λ5-phosphane
SMILESCOC[C@H]1O[C@@H](C)CC1CP(C)([O-])=S
InChIInChI=1S/C9H19O3PS/c1-7-4-8(6-13(3,10)14)9(12-7)5-11-2/h7-9H,4-6H2,1-3H3,(H,10,14)/p-1/t7-,8?,9+,13?/m0/s1
InChIKeyNHRWGKJEEIKXMB-RSAQKFLCSA-M
XLogP0.81
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl-methyl-oxido-sulfanylidene-λ5-phosphane?
The IUPAC name of [(2S,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl-methyl-oxido-sulfanylidene-λ5-phosphane (CID 58974562) is [(2S,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl-methyl-oxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [(2S,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl-methyl-oxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for [(2S,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl-methyl-oxido-sulfanylidene-λ5-phosphane is COC[C@H]1O[C@@H](C)CC1CP(C)([O-])=S.
What is the InChIKey of [(2S,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl-methyl-oxido-sulfanylidene-λ5-phosphane?
The InChIKey is NHRWGKJEEIKXMB-RSAQKFLCSA-M. The full InChI is InChI=1S/C9H19O3PS/c1-7-4-8(6-13(3,10)14)9(12-7)5-11-2/h7-9H,4-6H2,1-3H3,(H,10,14)/p-1/t7-,8?,9+,13?/m0/s1.
What are the key properties of [(2S,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl-methyl-oxido-sulfanylidene-λ5-phosphane?
[(2S,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl-methyl-oxido-sulfanylidene-λ5-phosphane has a molecular weight of 237.28 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl-methyl-oxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 58974562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).