(3R,4R,5S)-3,4,5-tris(phenylmethoxy)selenan-2-ol

C26H28O4Se — CID 11059943

IUPAC(3R,4R,5S)-3,4,5-tris(phenylmethoxy)selenan-2-ol
SMILESOC1[Se]C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C26H28O4Se/c27-26-25(30-18-22-14-8-3-9-15-22)24(29-17-21-12-6-2-7-13-21)23(19-31-26)28-16-20-10-4-1-5-11-20/h1-15,23-27H,16-19H2/t23-,24-,25-,26?/m1/s1
InChIKeyRRTOLEHAULSGBX-NITSXXPLSA-N
MW483.47 g/mol
LogP4.20
Rot. Bonds9

About (3R,4R,5S)-3,4,5-tris(phenylmethoxy)selenan-2-ol

(3R,4R,5S)-3,4,5-tris(phenylmethoxy)selenan-2-ol (PubChem CID 11059943) has the molecular formula C26H28O4Se and a molecular weight of 483.47 g/mol. Its IUPAC name is (3R,4R,5S)-3,4,5-tris(phenylmethoxy)selenan-2-ol.

Molecular Properties

Compound Name(3R,4R,5S)-3,4,5-tris(phenylmethoxy)selenan-2-ol
PubChem CID11059943
Molecular FormulaC26H28O4Se
Molecular Weight483.47 g/mol
Exact Mass484.12
IUPAC Name(3R,4R,5S)-3,4,5-tris(phenylmethoxy)selenan-2-ol
SMILESOC1[Se]C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C26H28O4Se/c27-26-25(30-18-22-14-8-3-9-15-22)24(29-17-21-12-6-2-7-13-21)23(19-31-26)28-16-20-10-4-1-5-11-20/h1-15,23-27H,16-19H2/t23-,24-,25-,26?/m1/s1
InChIKeyRRTOLEHAULSGBX-NITSXXPLSA-N
XLogP4.20
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
(1R,2S,3R,4S,5S,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 6548176
(1S,2R,3R,4S,5R,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 101254496
(1S,2S,3R,4S,5R,6S)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 10671261
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
[(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol
CID 23245876
(2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxyselenolane
CID 161051476
2,4-bis(phenylmethoxy)cyclopentan-1-ol
CID 57200651
(1R,2R,3R,5S)-5-methyl-2,3-bis(phenylmethoxy)cyclohexan-1-ol
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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-3,4,5-tris(phenylmethoxy)selenan-2-ol?
The IUPAC name of (3R,4R,5S)-3,4,5-tris(phenylmethoxy)selenan-2-ol (CID 11059943) is (3R,4R,5S)-3,4,5-tris(phenylmethoxy)selenan-2-ol.
What is the SMILES notation for (3R,4R,5S)-3,4,5-tris(phenylmethoxy)selenan-2-ol?
The canonical SMILES for (3R,4R,5S)-3,4,5-tris(phenylmethoxy)selenan-2-ol is OC1[Se]C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (3R,4R,5S)-3,4,5-tris(phenylmethoxy)selenan-2-ol?
The InChIKey is RRTOLEHAULSGBX-NITSXXPLSA-N. The full InChI is InChI=1S/C26H28O4Se/c27-26-25(30-18-22-14-8-3-9-15-22)24(29-17-21-12-6-2-7-13-21)23(19-31-26)28-16-20-10-4-1-5-11-20/h1-15,23-27H,16-19H2/t23-,24-,25-,26?/m1/s1.
What are the key properties of (3R,4R,5S)-3,4,5-tris(phenylmethoxy)selenan-2-ol?
(3R,4R,5S)-3,4,5-tris(phenylmethoxy)selenan-2-ol has a molecular weight of 483.47 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-3,4,5-tris(phenylmethoxy)selenan-2-ol is sourced from PubChem (CID 11059943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).