(2R,3R)-2-[(1S)-3-phenylmethoxy-1-phenylselanylpropyl]oxan-3-ol

C21H26O3Se — CID 102112656

IUPAC(2R,3R)-2-[(1S)-3-phenylmethoxy-1-phenylselanylpropyl]oxan-3-ol
SMILESO[C@@H]1CCCO[C@H]1[C@H](CCOCc1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C21H26O3Se/c22-19-12-7-14-24-21(19)20(25-18-10-5-2-6-11-18)13-15-23-16-17-8-3-1-4-9-17/h1-6,8-11,19-22H,7,12-16H2/t19-,20+,21-/m1/s1
InChIKeyLPXRJRAVWKOJJF-QHAWAJNXSA-N
MW405.40 g/mol
LogP2.95
Rot. Bonds8

About (2R,3R)-2-[(1S)-3-phenylmethoxy-1-phenylselanylpropyl]oxan-3-ol

(2R,3R)-2-[(1S)-3-phenylmethoxy-1-phenylselanylpropyl]oxan-3-ol (PubChem CID 102112656) has the molecular formula C21H26O3Se and a molecular weight of 405.40 g/mol. Its IUPAC name is (2R,3R)-2-[(1S)-3-phenylmethoxy-1-phenylselanylpropyl]oxan-3-ol.

Molecular Properties

Compound Name(2R,3R)-2-[(1S)-3-phenylmethoxy-1-phenylselanylpropyl]oxan-3-ol
PubChem CID102112656
Molecular FormulaC21H26O3Se
Molecular Weight405.40 g/mol
Exact Mass406.10
IUPAC Name(2R,3R)-2-[(1S)-3-phenylmethoxy-1-phenylselanylpropyl]oxan-3-ol
SMILESO[C@@H]1CCCO[C@H]1[C@H](CCOCc1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C21H26O3Se/c22-19-12-7-14-24-21(19)20(25-18-10-5-2-6-11-18)13-15-23-16-17-8-3-1-4-9-17/h1-6,8-11,19-22H,7,12-16H2/t19-,20+,21-/m1/s1
InChIKeyLPXRJRAVWKOJJF-QHAWAJNXSA-N
XLogP2.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[(1S)-3-phenylmethoxy-1-phenylselanylpropyl]oxan-3-ol?
The IUPAC name of (2R,3R)-2-[(1S)-3-phenylmethoxy-1-phenylselanylpropyl]oxan-3-ol (CID 102112656) is (2R,3R)-2-[(1S)-3-phenylmethoxy-1-phenylselanylpropyl]oxan-3-ol.
What is the SMILES notation for (2R,3R)-2-[(1S)-3-phenylmethoxy-1-phenylselanylpropyl]oxan-3-ol?
The canonical SMILES for (2R,3R)-2-[(1S)-3-phenylmethoxy-1-phenylselanylpropyl]oxan-3-ol is O[C@@H]1CCCO[C@H]1[C@H](CCOCc1ccccc1)[Se]c1ccccc1.
What is the InChIKey of (2R,3R)-2-[(1S)-3-phenylmethoxy-1-phenylselanylpropyl]oxan-3-ol?
The InChIKey is LPXRJRAVWKOJJF-QHAWAJNXSA-N. The full InChI is InChI=1S/C21H26O3Se/c22-19-12-7-14-24-21(19)20(25-18-10-5-2-6-11-18)13-15-23-16-17-8-3-1-4-9-17/h1-6,8-11,19-22H,7,12-16H2/t19-,20+,21-/m1/s1.
What are the key properties of (2R,3R)-2-[(1S)-3-phenylmethoxy-1-phenylselanylpropyl]oxan-3-ol?
(2R,3R)-2-[(1S)-3-phenylmethoxy-1-phenylselanylpropyl]oxan-3-ol has a molecular weight of 405.40 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[(1S)-3-phenylmethoxy-1-phenylselanylpropyl]oxan-3-ol is sourced from PubChem (CID 102112656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).