2-[(2R,4S,6R)-4-methoxy-6-phenylsulfanyloxan-2-yl]ethanol

C14H20O3S — CID 10912534

IUPAC2-[(2R,4S,6R)-4-methoxy-6-phenylsulfanyloxan-2-yl]ethanol
SMILESCO[C@H]1C[C@@H](CCO)O[C@H](Sc2ccccc2)C1
InChIInChI=1S/C14H20O3S/c1-16-12-9-11(7-8-15)17-14(10-12)18-13-5-3-2-4-6-13/h2-6,11-12,14-15H,7-10H2,1H3/t11-,12+,14-/m1/s1
InChIKeySITDCUDCUHTJKI-MBNYWOFBSA-N
MW268.38 g/mol
LogP2.68
Rot. Bonds5

About 2-[(2R,4S,6R)-4-methoxy-6-phenylsulfanyloxan-2-yl]ethanol

2-[(2R,4S,6R)-4-methoxy-6-phenylsulfanyloxan-2-yl]ethanol (PubChem CID 10912534) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[(2R,4S,6R)-4-methoxy-6-phenylsulfanyloxan-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R,4S,6R)-4-methoxy-6-phenylsulfanyloxan-2-yl]ethanol
PubChem CID10912534
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name2-[(2R,4S,6R)-4-methoxy-6-phenylsulfanyloxan-2-yl]ethanol
SMILESCO[C@H]1C[C@@H](CCO)O[C@H](Sc2ccccc2)C1
InChIInChI=1S/C14H20O3S/c1-16-12-9-11(7-8-15)17-14(10-12)18-13-5-3-2-4-6-13/h2-6,11-12,14-15H,7-10H2,1H3/t11-,12+,14-/m1/s1
InChIKeySITDCUDCUHTJKI-MBNYWOFBSA-N
XLogP2.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl thio-beta-D-galactopyranoside
CID 2802071
2-(Phenylsulfanyl)cyclohexanol
CID 278135
alpha-D-Glucopyranoside, phenyl 1-thio-
CID 54171670
beta-D-Glucofuranoside, phenyl 1-thio-
CID 57147889
Phenyl beta-D-thiogalactopyranoside
CID 314404
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(phenylsulfanylmethyl)oxolane-3,4-diol
CID 46875436
(3S,4S,2R,5R)-5-(Hydroxymethyl)-2-(phenylthiomethyl)oxolane-3,4-diol
CID 479977
(2S,3S,4S,5R)-5-(Hydroxymethyl)-2-(phenylthiomethyl)oxolane-3,4-diol
CID 479994
1-(Phenylsulfanyl)-2-octanol
CID 11276474
2-[(Phenylsulfanyl)methyl]oxane
CID 13757446
Phenyl 1-thio-beta-D-xylopyranoside
CID 10466912
Phenyl 1-thio-beta-D-glucopyranoside
CID 10934592

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4S,6R)-4-methoxy-6-phenylsulfanyloxan-2-yl]ethanol?
The IUPAC name of 2-[(2R,4S,6R)-4-methoxy-6-phenylsulfanyloxan-2-yl]ethanol (CID 10912534) is 2-[(2R,4S,6R)-4-methoxy-6-phenylsulfanyloxan-2-yl]ethanol.
What is the SMILES notation for 2-[(2R,4S,6R)-4-methoxy-6-phenylsulfanyloxan-2-yl]ethanol?
The canonical SMILES for 2-[(2R,4S,6R)-4-methoxy-6-phenylsulfanyloxan-2-yl]ethanol is CO[C@H]1C[C@@H](CCO)O[C@H](Sc2ccccc2)C1.
What is the InChIKey of 2-[(2R,4S,6R)-4-methoxy-6-phenylsulfanyloxan-2-yl]ethanol?
The InChIKey is SITDCUDCUHTJKI-MBNYWOFBSA-N. The full InChI is InChI=1S/C14H20O3S/c1-16-12-9-11(7-8-15)17-14(10-12)18-13-5-3-2-4-6-13/h2-6,11-12,14-15H,7-10H2,1H3/t11-,12+,14-/m1/s1.
What are the key properties of 2-[(2R,4S,6R)-4-methoxy-6-phenylsulfanyloxan-2-yl]ethanol?
2-[(2R,4S,6R)-4-methoxy-6-phenylsulfanyloxan-2-yl]ethanol has a molecular weight of 268.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4S,6R)-4-methoxy-6-phenylsulfanyloxan-2-yl]ethanol is sourced from PubChem (CID 10912534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).