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

C9H19O3PS — CID 58592407

IUPAChydroxy-[[(2S,3R,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl]-methyl-sulfanylidene-λ5-phosphane
SMILESCOC[C@H]1O[C@@H](C)C[C@H]1CP(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)/t7-,8-,9+,13?/m0/s1
InChIKeyNHRWGKJEEIKXMB-BTNIHXOLSA-N
MW238.29 g/mol
LogP1.44
Rot. Bonds4

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

hydroxy-[[(2S,3R,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl]-methyl-sulfanylidene-λ5-phosphane (PubChem CID 58592407) has the molecular formula C9H19O3PS and a molecular weight of 238.29 g/mol. Its IUPAC name is hydroxy-[[(2S,3R,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl]-methyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-[[(2S,3R,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl]-methyl-sulfanylidene-λ5-phosphane
PubChem CID58592407
Molecular FormulaC9H19O3PS
Molecular Weight238.29 g/mol
Exact Mass238.08
IUPAC Namehydroxy-[[(2S,3R,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl]-methyl-sulfanylidene-λ5-phosphane
SMILESCOC[C@H]1O[C@@H](C)C[C@H]1CP(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)/t7-,8-,9+,13?/m0/s1
InChIKeyNHRWGKJEEIKXMB-BTNIHXOLSA-N
XLogP1.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-[[(2S,3R,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl]-methyl-sulfanylidene-λ5-phosphane?
The IUPAC name of hydroxy-[[(2S,3R,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl]-methyl-sulfanylidene-λ5-phosphane (CID 58592407) is hydroxy-[[(2S,3R,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl]-methyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for hydroxy-[[(2S,3R,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl]-methyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for hydroxy-[[(2S,3R,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl]-methyl-sulfanylidene-λ5-phosphane is COC[C@H]1O[C@@H](C)C[C@H]1CP(C)(O)=S.
What is the InChIKey of hydroxy-[[(2S,3R,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl]-methyl-sulfanylidene-λ5-phosphane?
The InChIKey is NHRWGKJEEIKXMB-BTNIHXOLSA-N. 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)/t7-,8-,9+,13?/m0/s1.
What are the key properties of hydroxy-[[(2S,3R,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl]-methyl-sulfanylidene-λ5-phosphane?
hydroxy-[[(2S,3R,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl]-methyl-sulfanylidene-λ5-phosphane has a molecular weight of 238.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[[(2S,3R,5S)-2-(methoxymethyl)-5-methyloxolan-3-yl]methyl]-methyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 58592407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).