hydroxy-methoxy-[(2R,4R,5S)-4-methoxy-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-sulfanylidene-λ5-phosphane

C9H19O6PS — CID 88878251

IUPAChydroxy-methoxy-[(2R,4R,5S)-4-methoxy-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-sulfanylidene-λ5-phosphane
SMILESCOC[C@H]1O[C@@H](C)[C@@H](OC)C1OP(O)(=S)OC
InChIInChI=1S/C9H19O6PS/c1-6-8(12-3)9(7(14-6)5-11-2)15-16(10,17)13-4/h6-9H,5H2,1-4H3,(H,10,17)/t6-,7+,8+,9?,16?/m0/s1
InChIKeyFMYHHKZHFMZVAF-AVQAOXDXSA-N
MW286.29 g/mol
LogP0.68
Rot. Bonds6

About hydroxy-methoxy-[(2R,4R,5S)-4-methoxy-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-sulfanylidene-λ5-phosphane

hydroxy-methoxy-[(2R,4R,5S)-4-methoxy-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-sulfanylidene-λ5-phosphane (PubChem CID 88878251) has the molecular formula C9H19O6PS and a molecular weight of 286.29 g/mol. Its IUPAC name is hydroxy-methoxy-[(2R,4R,5S)-4-methoxy-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-methoxy-[(2R,4R,5S)-4-methoxy-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-sulfanylidene-λ5-phosphane
PubChem CID88878251
Molecular FormulaC9H19O6PS
Molecular Weight286.29 g/mol
Exact Mass286.06
IUPAC Namehydroxy-methoxy-[(2R,4R,5S)-4-methoxy-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-sulfanylidene-λ5-phosphane
SMILESCOC[C@H]1O[C@@H](C)[C@@H](OC)C1OP(O)(=S)OC
InChIInChI=1S/C9H19O6PS/c1-6-8(12-3)9(7(14-6)5-11-2)15-16(10,17)13-4/h6-9H,5H2,1-4H3,(H,10,17)/t6-,7+,8+,9?,16?/m0/s1
InChIKeyFMYHHKZHFMZVAF-AVQAOXDXSA-N
XLogP0.68
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxy-[(2R,4R,5S)-4-methoxy-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-sulfanylidene-λ5-phosphane?
The IUPAC name of hydroxy-methoxy-[(2R,4R,5S)-4-methoxy-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-sulfanylidene-λ5-phosphane (CID 88878251) is hydroxy-methoxy-[(2R,4R,5S)-4-methoxy-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for hydroxy-methoxy-[(2R,4R,5S)-4-methoxy-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for hydroxy-methoxy-[(2R,4R,5S)-4-methoxy-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-sulfanylidene-λ5-phosphane is COC[C@H]1O[C@@H](C)[C@@H](OC)C1OP(O)(=S)OC.
What is the InChIKey of hydroxy-methoxy-[(2R,4R,5S)-4-methoxy-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-sulfanylidene-λ5-phosphane?
The InChIKey is FMYHHKZHFMZVAF-AVQAOXDXSA-N. The full InChI is InChI=1S/C9H19O6PS/c1-6-8(12-3)9(7(14-6)5-11-2)15-16(10,17)13-4/h6-9H,5H2,1-4H3,(H,10,17)/t6-,7+,8+,9?,16?/m0/s1.
What are the key properties of hydroxy-methoxy-[(2R,4R,5S)-4-methoxy-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-sulfanylidene-λ5-phosphane?
hydroxy-methoxy-[(2R,4R,5S)-4-methoxy-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-sulfanylidene-λ5-phosphane has a molecular weight of 286.29 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methoxy-[(2R,4R,5S)-4-methoxy-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 88878251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).