(2R,4S)-4,5-dihydroxy-2-phenylselanylpentanal

C11H14O3Se — CID 20871288

IUPAC(2R,4S)-4,5-dihydroxy-2-phenylselanylpentanal
SMILESO=C[C@@H](C[C@H](O)CO)[Se]c1ccccc1
InChIInChI=1S/C11H14O3Se/c12-7-9(14)6-11(8-13)15-10-4-2-1-3-5-10/h1-5,8-9,11-12,14H,6-7H2/t9-,11+/m0/s1
InChIKeyUPTBPXZUUKGUBN-GXSJLCMTSA-N
MW273.19 g/mol
LogP-0.25
Rot. Bonds6

About (2R,4S)-4,5-dihydroxy-2-phenylselanylpentanal

(2R,4S)-4,5-dihydroxy-2-phenylselanylpentanal (PubChem CID 20871288) has the molecular formula C11H14O3Se and a molecular weight of 273.19 g/mol. Its IUPAC name is (2R,4S)-4,5-dihydroxy-2-phenylselanylpentanal.

Molecular Properties

Compound Name(2R,4S)-4,5-dihydroxy-2-phenylselanylpentanal
PubChem CID20871288
Molecular FormulaC11H14O3Se
Molecular Weight273.19 g/mol
Exact Mass274.01
IUPAC Name(2R,4S)-4,5-dihydroxy-2-phenylselanylpentanal
SMILESO=C[C@@H](C[C@H](O)CO)[Se]c1ccccc1
InChIInChI=1S/C11H14O3Se/c12-7-9(14)6-11(8-13)15-10-4-2-1-3-5-10/h1-5,8-9,11-12,14H,6-7H2/t9-,11+/m0/s1
InChIKeyUPTBPXZUUKGUBN-GXSJLCMTSA-N
XLogP-0.25
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4,5-dihydroxy-2-phenylselanylpentanal?
The IUPAC name of (2R,4S)-4,5-dihydroxy-2-phenylselanylpentanal (CID 20871288) is (2R,4S)-4,5-dihydroxy-2-phenylselanylpentanal.
What is the SMILES notation for (2R,4S)-4,5-dihydroxy-2-phenylselanylpentanal?
The canonical SMILES for (2R,4S)-4,5-dihydroxy-2-phenylselanylpentanal is O=C[C@@H](C[C@H](O)CO)[Se]c1ccccc1.
What is the InChIKey of (2R,4S)-4,5-dihydroxy-2-phenylselanylpentanal?
The InChIKey is UPTBPXZUUKGUBN-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H14O3Se/c12-7-9(14)6-11(8-13)15-10-4-2-1-3-5-10/h1-5,8-9,11-12,14H,6-7H2/t9-,11+/m0/s1.
What are the key properties of (2R,4S)-4,5-dihydroxy-2-phenylselanylpentanal?
(2R,4S)-4,5-dihydroxy-2-phenylselanylpentanal has a molecular weight of 273.19 g/mol, XLogP of -0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4,5-dihydroxy-2-phenylselanylpentanal is sourced from PubChem (CID 20871288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).