(3R,4R,5R)-5-ethyl-4-methoxy-3-phenylmethoxy-2-(sulfanylmethyl)oxolan-2-ol

C15H22O4S — CID 158397609

IUPAC(3R,4R,5R)-5-ethyl-4-methoxy-3-phenylmethoxy-2-(sulfanylmethyl)oxolan-2-ol
SMILESCC[C@H]1OC(O)(CS)[C@H](OCc2ccccc2)[C@@H]1OC
InChIInChI=1S/C15H22O4S/c1-3-12-13(17-2)14(15(16,10-20)19-12)18-9-11-7-5-4-6-8-11/h4-8,12-14,16,20H,3,9-10H2,1-2H3/t12-,13-,14-,15?/m1/s1
InChIKeyKWCUKNHZBUMHEW-CBNXCZCTSA-N
MW298.40 g/mol
LogP2.01
Rot. Bonds6

About (3R,4R,5R)-5-ethyl-4-methoxy-3-phenylmethoxy-2-(sulfanylmethyl)oxolan-2-ol

(3R,4R,5R)-5-ethyl-4-methoxy-3-phenylmethoxy-2-(sulfanylmethyl)oxolan-2-ol (PubChem CID 158397609) has the molecular formula C15H22O4S and a molecular weight of 298.40 g/mol. Its IUPAC name is (3R,4R,5R)-5-ethyl-4-methoxy-3-phenylmethoxy-2-(sulfanylmethyl)oxolan-2-ol.

Molecular Properties

Compound Name(3R,4R,5R)-5-ethyl-4-methoxy-3-phenylmethoxy-2-(sulfanylmethyl)oxolan-2-ol
PubChem CID158397609
Molecular FormulaC15H22O4S
Molecular Weight298.40 g/mol
Exact Mass298.12
IUPAC Name(3R,4R,5R)-5-ethyl-4-methoxy-3-phenylmethoxy-2-(sulfanylmethyl)oxolan-2-ol
SMILESCC[C@H]1OC(O)(CS)[C@H](OCc2ccccc2)[C@@H]1OC
InChIInChI=1S/C15H22O4S/c1-3-12-13(17-2)14(15(16,10-20)19-12)18-9-11-7-5-4-6-8-11/h4-8,12-14,16,20H,3,9-10H2,1-2H3/t12-,13-,14-,15?/m1/s1
InChIKeyKWCUKNHZBUMHEW-CBNXCZCTSA-N
XLogP2.01
TPSA47.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(3R,4S,5R,6R)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 14445991
(2R,3S,4S,5R,6S)-2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102391808
5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 20743032
(2R,3S,4R,5S,6R)-6-methyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-2-ol
CID 134856100
2-[(3R,4S,5S,6R)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetic acid
CID 54345731
(2S,3S,5R)-5-ethyl-2-(3-methyl-5-phenylmethoxypyrazin-2-yl)-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 159215203
(3S,5R)-5-ethyl-2-(2-fluoro-6-phenylmethoxy-3-pyridinyl)-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 122543812
(2R,3R,5R,6S)-1-methyl-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol
CID 102432631
(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-ol
CID 11273229
[(2S,3R,4S,5S)-4-methoxy-5-methyl-3-phenylmethoxyoxan-2-yl]methanol
CID 67672097
(2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol
CID 121322520
methyl (2R,5R)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carboxylate
CID 135042253

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-5-ethyl-4-methoxy-3-phenylmethoxy-2-(sulfanylmethyl)oxolan-2-ol?
The IUPAC name of (3R,4R,5R)-5-ethyl-4-methoxy-3-phenylmethoxy-2-(sulfanylmethyl)oxolan-2-ol (CID 158397609) is (3R,4R,5R)-5-ethyl-4-methoxy-3-phenylmethoxy-2-(sulfanylmethyl)oxolan-2-ol.
What is the SMILES notation for (3R,4R,5R)-5-ethyl-4-methoxy-3-phenylmethoxy-2-(sulfanylmethyl)oxolan-2-ol?
The canonical SMILES for (3R,4R,5R)-5-ethyl-4-methoxy-3-phenylmethoxy-2-(sulfanylmethyl)oxolan-2-ol is CC[C@H]1OC(O)(CS)[C@H](OCc2ccccc2)[C@@H]1OC.
What is the InChIKey of (3R,4R,5R)-5-ethyl-4-methoxy-3-phenylmethoxy-2-(sulfanylmethyl)oxolan-2-ol?
The InChIKey is KWCUKNHZBUMHEW-CBNXCZCTSA-N. The full InChI is InChI=1S/C15H22O4S/c1-3-12-13(17-2)14(15(16,10-20)19-12)18-9-11-7-5-4-6-8-11/h4-8,12-14,16,20H,3,9-10H2,1-2H3/t12-,13-,14-,15?/m1/s1.
What are the key properties of (3R,4R,5R)-5-ethyl-4-methoxy-3-phenylmethoxy-2-(sulfanylmethyl)oxolan-2-ol?
(3R,4R,5R)-5-ethyl-4-methoxy-3-phenylmethoxy-2-(sulfanylmethyl)oxolan-2-ol has a molecular weight of 298.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-5-ethyl-4-methoxy-3-phenylmethoxy-2-(sulfanylmethyl)oxolan-2-ol is sourced from PubChem (CID 158397609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).