[(2S,3S)-3-(diethoxyphosphorylmethyl)-5-phenylsulfanyloxolan-2-yl]methanol

C16H25O5PS — CID 10893744

IUPAC[(2S,3S)-3-(diethoxyphosphorylmethyl)-5-phenylsulfanyloxolan-2-yl]methanol
SMILESCCOP(=O)(C[C@H]1CC(Sc2ccccc2)O[C@@H]1CO)OCC
InChIInChI=1S/C16H25O5PS/c1-3-19-22(18,20-4-2)12-13-10-16(21-15(13)11-17)23-14-8-6-5-7-9-14/h5-9,13,15-17H,3-4,10-12H2,1-2H3/t13-,15-,16?/m1/s1
InChIKeyZOKPTUAJUVEXBU-CWSLVUQWSA-N
MW360.41 g/mol
LogP3.77
Rot. Bonds9

About [(2S,3S)-3-(diethoxyphosphorylmethyl)-5-phenylsulfanyloxolan-2-yl]methanol

[(2S,3S)-3-(diethoxyphosphorylmethyl)-5-phenylsulfanyloxolan-2-yl]methanol (PubChem CID 10893744) has the molecular formula C16H25O5PS and a molecular weight of 360.41 g/mol. Its IUPAC name is [(2S,3S)-3-(diethoxyphosphorylmethyl)-5-phenylsulfanyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-(diethoxyphosphorylmethyl)-5-phenylsulfanyloxolan-2-yl]methanol
PubChem CID10893744
Molecular FormulaC16H25O5PS
Molecular Weight360.41 g/mol
Exact Mass360.12
IUPAC Name[(2S,3S)-3-(diethoxyphosphorylmethyl)-5-phenylsulfanyloxolan-2-yl]methanol
SMILESCCOP(=O)(C[C@H]1CC(Sc2ccccc2)O[C@@H]1CO)OCC
InChIInChI=1S/C16H25O5PS/c1-3-19-22(18,20-4-2)12-13-10-16(21-15(13)11-17)23-14-8-6-5-7-9-14/h5-9,13,15-17H,3-4,10-12H2,1-2H3/t13-,15-,16?/m1/s1
InChIKeyZOKPTUAJUVEXBU-CWSLVUQWSA-N
XLogP3.77
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3S,5R)-3-(diethoxyphosphorylmethyl)-5-ethoxyoxolan-2-yl]methyl benzoate
CID 15835070
1-[(2R,4S,5S)-4-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)oxolan-2-yl]-4-methoxypyrimidin-2-one
CID 11068827
1-[(2R,4R,5S)-4-(diethoxyphosphorylmethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 3009330
[(1S,2S,3R)-2-diethoxyphosphoryl-3-(diethoxyphosphorylmethyl)cyclopentyl]benzene
CID 101053260
1-diethoxyphosphoryl-4-phenylsulfanylbutan-2-one
CID 10860046
(2R,4aR,6S,8R,8aS)-8-ethoxy-2-phenyl-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 70904884
(2R,3R,4R)-2-(hydroxymethyl)-5-phenylsulfanyloxolane-3,4-diol
CID 54042822
methyl-[[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-phenylsulfanyloxan-2-yl]methoxy]phosphinic acid
CID 102156788
[(3R,6S)-3,4,5-tributoxy-6-phenylsulfanyloxan-2-yl]methanol
CID 70920985
(3S,6S)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol
CID 70671710
(2S,3R,4R,5R,6S)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol
CID 11140243
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol
CID 22879779

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-(diethoxyphosphorylmethyl)-5-phenylsulfanyloxolan-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-(diethoxyphosphorylmethyl)-5-phenylsulfanyloxolan-2-yl]methanol (CID 10893744) is [(2S,3S)-3-(diethoxyphosphorylmethyl)-5-phenylsulfanyloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-(diethoxyphosphorylmethyl)-5-phenylsulfanyloxolan-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-(diethoxyphosphorylmethyl)-5-phenylsulfanyloxolan-2-yl]methanol is CCOP(=O)(C[C@H]1CC(Sc2ccccc2)O[C@@H]1CO)OCC.
What is the InChIKey of [(2S,3S)-3-(diethoxyphosphorylmethyl)-5-phenylsulfanyloxolan-2-yl]methanol?
The InChIKey is ZOKPTUAJUVEXBU-CWSLVUQWSA-N. The full InChI is InChI=1S/C16H25O5PS/c1-3-19-22(18,20-4-2)12-13-10-16(21-15(13)11-17)23-14-8-6-5-7-9-14/h5-9,13,15-17H,3-4,10-12H2,1-2H3/t13-,15-,16?/m1/s1.
What are the key properties of [(2S,3S)-3-(diethoxyphosphorylmethyl)-5-phenylsulfanyloxolan-2-yl]methanol?
[(2S,3S)-3-(diethoxyphosphorylmethyl)-5-phenylsulfanyloxolan-2-yl]methanol has a molecular weight of 360.41 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-(diethoxyphosphorylmethyl)-5-phenylsulfanyloxolan-2-yl]methanol is sourced from PubChem (CID 10893744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).