(2R,3S,6R)-2-(hydroxymethyl)-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-3-ol

C20H32O3SSi — CID 10959875

IUPAC(2R,3S,6R)-2-(hydroxymethyl)-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-3-ol
SMILESCC[Si](CC)(CC)/C(=C/[C@H]1CC[C@H](O)[C@@H](CO)O1)Sc1ccccc1
InChIInChI=1S/C20H32O3SSi/c1-4-25(5-2,6-3)20(24-17-10-8-7-9-11-17)14-16-12-13-18(22)19(15-21)23-16/h7-11,14,16,18-19,21-22H,4-6,12-13,15H2,1-3H3/b20-14+/t16-,18+,19-/m1/s1
InChIKeyFSLXHCLEEXRAIV-AECLBVMZSA-N
MW380.63 g/mol
LogP4.61
Rot. Bonds8

About (2R,3S,6R)-2-(hydroxymethyl)-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-3-ol

(2R,3S,6R)-2-(hydroxymethyl)-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-3-ol (PubChem CID 10959875) has the molecular formula C20H32O3SSi and a molecular weight of 380.63 g/mol. Its IUPAC name is (2R,3S,6R)-2-(hydroxymethyl)-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,6R)-2-(hydroxymethyl)-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-3-ol
PubChem CID10959875
Molecular FormulaC20H32O3SSi
Molecular Weight380.63 g/mol
Exact Mass380.18
IUPAC Name(2R,3S,6R)-2-(hydroxymethyl)-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-3-ol
SMILESCC[Si](CC)(CC)/C(=C/[C@H]1CC[C@H](O)[C@@H](CO)O1)Sc1ccccc1
InChIInChI=1S/C20H32O3SSi/c1-4-25(5-2,6-3)20(24-17-10-8-7-9-11-17)14-16-12-13-18(22)19(15-21)23-16/h7-11,14,16,18-19,21-22H,4-6,12-13,15H2,1-3H3/b20-14+/t16-,18+,19-/m1/s1
InChIKeyFSLXHCLEEXRAIV-AECLBVMZSA-N
XLogP4.61
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.63
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S,5S,6R)-2-(((tert-butyldimethylsilyl)oxy)methyl)-6-(phenylthio)tetrahydro-2H-pyran-3,4,5-triol
CID 11773595
tert-butyl-dimethyl-[[(2S,5S,6R)-5-methyl-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-2-yl]methoxy]silane
CID 134879371
(2R,3S,4S,5S,6S)-2-(((tert-butyldimethylsilyl)oxy)methyl)-6-(phenylthio)tetrahydro-2H-pyran-3,4,5-triol
CID 166177055
Nlyvbpgsbmwamx-brwvuggusa-
CID 14408016
(3S,4R,5S,6R)-6-(hydroxymethyl)-2-methyl-2-phenylsulfanyloxane-3,4,5-triol
CID 18729262
4-Methoxy-2,6-dimethyl-5-phenylsulfanyloxan-3-ol
CID 18729291
(2S,3R,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenylsulfanyloxane-3,4-diol
CID 57723965
(3R,4S,6S)-2-ethyl-6-phenylsulfanyloxane-3,4,5-triol
CID 58536879
5-[Tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4-diol
CID 59765769
(1R)-1-[(3S,5R,6R)-3,4,5-tributoxy-6-phenylsulfanyloxan-2-yl]ethane-1,2-diol
CID 67951823
(2R)-2-butoxy-2-[(3S,5R,6R)-3,4,5-tributoxy-6-phenylsulfanyloxan-2-yl]ethanol
CID 67951824
(1R)-1-[(3S,6R)-3,4,5-tributoxy-6-phenylsulfanyloxan-2-yl]ethane-1,2-diol
CID 67951871

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6R)-2-(hydroxymethyl)-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-3-ol?
The IUPAC name of (2R,3S,6R)-2-(hydroxymethyl)-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-3-ol (CID 10959875) is (2R,3S,6R)-2-(hydroxymethyl)-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-3-ol.
What is the SMILES notation for (2R,3S,6R)-2-(hydroxymethyl)-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-3-ol?
The canonical SMILES for (2R,3S,6R)-2-(hydroxymethyl)-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-3-ol is CC[Si](CC)(CC)/C(=C/[C@H]1CC[C@H](O)[C@@H](CO)O1)Sc1ccccc1.
What is the InChIKey of (2R,3S,6R)-2-(hydroxymethyl)-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-3-ol?
The InChIKey is FSLXHCLEEXRAIV-AECLBVMZSA-N. The full InChI is InChI=1S/C20H32O3SSi/c1-4-25(5-2,6-3)20(24-17-10-8-7-9-11-17)14-16-12-13-18(22)19(15-21)23-16/h7-11,14,16,18-19,21-22H,4-6,12-13,15H2,1-3H3/b20-14+/t16-,18+,19-/m1/s1.
What are the key properties of (2R,3S,6R)-2-(hydroxymethyl)-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-3-ol?
(2R,3S,6R)-2-(hydroxymethyl)-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-3-ol has a molecular weight of 380.63 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R)-2-(hydroxymethyl)-6-[(Z)-2-phenylsulfanyl-2-triethylsilylethenyl]oxan-3-ol is sourced from PubChem (CID 10959875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).