(2S,3R,4S,5R,6R)-2-ethylsulfanyl-3,4,5-trimethoxy-6-(phenylmethoxymethyl)oxane

C18H28O5S — CID 102377923

IUPAC(2S,3R,4S,5R,6R)-2-ethylsulfanyl-3,4,5-trimethoxy-6-(phenylmethoxymethyl)oxane
SMILESCCS[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OC)[C@H](OC)[C@H]1OC
InChIInChI=1S/C18H28O5S/c1-5-24-18-17(21-4)16(20-3)15(19-2)14(23-18)12-22-11-13-9-7-6-8-10-13/h6-10,14-18H,5,11-12H2,1-4H3/t14-,15-,16+,17-,18+/m1/s1
InChIKeyPHOGFGCPLHOLNK-SFFUCWETSA-N
MW356.48 g/mol
LogP2.73
Rot. Bonds9

About (2S,3R,4S,5R,6R)-2-ethylsulfanyl-3,4,5-trimethoxy-6-(phenylmethoxymethyl)oxane

(2S,3R,4S,5R,6R)-2-ethylsulfanyl-3,4,5-trimethoxy-6-(phenylmethoxymethyl)oxane (PubChem CID 102377923) has the molecular formula C18H28O5S and a molecular weight of 356.48 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-2-ethylsulfanyl-3,4,5-trimethoxy-6-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-2-ethylsulfanyl-3,4,5-trimethoxy-6-(phenylmethoxymethyl)oxane
PubChem CID102377923
Molecular FormulaC18H28O5S
Molecular Weight356.48 g/mol
Exact Mass356.17
IUPAC Name(2S,3R,4S,5R,6R)-2-ethylsulfanyl-3,4,5-trimethoxy-6-(phenylmethoxymethyl)oxane
SMILESCCS[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OC)[C@H](OC)[C@H]1OC
InChIInChI=1S/C18H28O5S/c1-5-24-18-17(21-4)16(20-3)15(19-2)14(23-18)12-22-11-13-9-7-6-8-10-13/h6-10,14-18H,5,11-12H2,1-4H3/t14-,15-,16+,17-,18+/m1/s1
InChIKeyPHOGFGCPLHOLNK-SFFUCWETSA-N
XLogP2.73
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S,4R,5R)-2-ethylsulfanyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 11145046
(2S,3R,4S,5S,6R)-2-ethylsulfanyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11050171
(2S,3R,4R,5S,6R)-2-ethylsulfanyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 67062933
2-ethylsulfanyl-3,4,5-trimethyl-6-(phenylmethoxymethyl)oxane
CID 71142584
[(2S,3R,4S,5R,6R)-2-ethylsulfanyl-6-(phenylmethoxymethyl)-3,5-bis[tri(propan-2-yl)silyloxy]oxan-4-yl]oxy-tri(propan-2-yl)silane
CID 102374439
(2S,3R,4S,5S,6R)-2-ethylsulfanyl-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-4-prop-2-enoxyoxane
CID 122376699
(2S,3R,4R,5S,6S)-2-ethylsulfanyl-3-methoxy-6-methyl-4,5-bis(phenylmethoxy)oxane
CID 101480240
(3aS,4R,6S,7R,7aS)-6-ethylsulfanyl-2,2-dimethyl-7-phenylmethoxy-4-(phenylmethoxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 100977160
(2S,3S,4R,5R,6R)-2-[[(2R,3R,4S,5S,6R)-6-ethylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 11115680
(3R,4S,6S)-6-ethylsulfanyl-5-methyl-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 146033274
(2R,3R,4S,5S,6R)-2-ethylsulfanyl-3,4,5-tris(phenylmethoxy)-6-(prop-2-enoxymethyl)oxane
CID 101181332
(3S,4S,6S)-6-ethylsulfanyl-5-methyl-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 70898350

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-2-ethylsulfanyl-3,4,5-trimethoxy-6-(phenylmethoxymethyl)oxane?
The IUPAC name of (2S,3R,4S,5R,6R)-2-ethylsulfanyl-3,4,5-trimethoxy-6-(phenylmethoxymethyl)oxane (CID 102377923) is (2S,3R,4S,5R,6R)-2-ethylsulfanyl-3,4,5-trimethoxy-6-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (2S,3R,4S,5R,6R)-2-ethylsulfanyl-3,4,5-trimethoxy-6-(phenylmethoxymethyl)oxane?
The canonical SMILES for (2S,3R,4S,5R,6R)-2-ethylsulfanyl-3,4,5-trimethoxy-6-(phenylmethoxymethyl)oxane is CCS[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OC)[C@H](OC)[C@H]1OC.
What is the InChIKey of (2S,3R,4S,5R,6R)-2-ethylsulfanyl-3,4,5-trimethoxy-6-(phenylmethoxymethyl)oxane?
The InChIKey is PHOGFGCPLHOLNK-SFFUCWETSA-N. The full InChI is InChI=1S/C18H28O5S/c1-5-24-18-17(21-4)16(20-3)15(19-2)14(23-18)12-22-11-13-9-7-6-8-10-13/h6-10,14-18H,5,11-12H2,1-4H3/t14-,15-,16+,17-,18+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-2-ethylsulfanyl-3,4,5-trimethoxy-6-(phenylmethoxymethyl)oxane?
(2S,3R,4S,5R,6R)-2-ethylsulfanyl-3,4,5-trimethoxy-6-(phenylmethoxymethyl)oxane has a molecular weight of 356.48 g/mol, XLogP of 2.73, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-2-ethylsulfanyl-3,4,5-trimethoxy-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 102377923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).