(2R,3S,6R)-2-(phenylmethoxymethyl)-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol

C19H20O3S — CID 14408001

IUPAC(2R,3S,6R)-2-(phenylmethoxymethyl)-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol
SMILESO[C@H]1C=C[C@@H](Sc2ccccc2)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C19H20O3S/c20-17-11-12-19(23-16-9-5-2-6-10-16)22-18(17)14-21-13-15-7-3-1-4-8-15/h1-12,17-20H,13-14H2/t17-,18+,19+/m0/s1
InChIKeyFEFVOCOKMWIYQE-IPMKNSEASA-N
MW328.43 g/mol
LogP3.64
Rot. Bonds6

About (2R,3S,6R)-2-(phenylmethoxymethyl)-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol

(2R,3S,6R)-2-(phenylmethoxymethyl)-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol (PubChem CID 14408001) has the molecular formula C19H20O3S and a molecular weight of 328.43 g/mol. Its IUPAC name is (2R,3S,6R)-2-(phenylmethoxymethyl)-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2R,3S,6R)-2-(phenylmethoxymethyl)-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol
PubChem CID14408001
Molecular FormulaC19H20O3S
Molecular Weight328.43 g/mol
Exact Mass328.11
IUPAC Name(2R,3S,6R)-2-(phenylmethoxymethyl)-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol
SMILESO[C@H]1C=C[C@@H](Sc2ccccc2)O[C@@H]1COCc1ccccc1
InChIInChI=1S/C19H20O3S/c20-17-11-12-19(23-16-9-5-2-6-10-16)22-18(17)14-21-13-15-7-3-1-4-8-15/h1-12,17-20H,13-14H2/t17-,18+,19+/m0/s1
InChIKeyFEFVOCOKMWIYQE-IPMKNSEASA-N
XLogP3.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,6R)-2-(phenylmethoxymethyl)-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2R,3S,6R)-2-(phenylmethoxymethyl)-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol (CID 14408001) is (2R,3S,6R)-2-(phenylmethoxymethyl)-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2R,3S,6R)-2-(phenylmethoxymethyl)-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2R,3S,6R)-2-(phenylmethoxymethyl)-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol is O[C@H]1C=C[C@@H](Sc2ccccc2)O[C@@H]1COCc1ccccc1.
What is the InChIKey of (2R,3S,6R)-2-(phenylmethoxymethyl)-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is FEFVOCOKMWIYQE-IPMKNSEASA-N. The full InChI is InChI=1S/C19H20O3S/c20-17-11-12-19(23-16-9-5-2-6-10-16)22-18(17)14-21-13-15-7-3-1-4-8-15/h1-12,17-20H,13-14H2/t17-,18+,19+/m0/s1.
What are the key properties of (2R,3S,6R)-2-(phenylmethoxymethyl)-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol?
(2R,3S,6R)-2-(phenylmethoxymethyl)-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 328.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R)-2-(phenylmethoxymethyl)-6-phenylsulfanyl-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 14408001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).