(2R,3S,4R)-5-phenylmethoxy-2-selanylpentane-1,3,4-triol

C12H18O4Se — CID 154270817

IUPAC(2R,3S,4R)-5-phenylmethoxy-2-selanylpentane-1,3,4-triol
SMILESOC[C@@H]([SeH])[C@@H](O)[C@H](O)COCc1ccccc1
InChIInChI=1S/C12H18O4Se/c13-6-11(17)12(15)10(14)8-16-7-9-4-2-1-3-5-9/h1-5,10-15,17H,6-8H2/t10-,11-,12+/m1/s1
InChIKeyZGFADCVDKWUSPR-UTUOFQBUSA-N
MW305.23 g/mol
LogP-0.39
Rot. Bonds7

About (2R,3S,4R)-5-phenylmethoxy-2-selanylpentane-1,3,4-triol

(2R,3S,4R)-5-phenylmethoxy-2-selanylpentane-1,3,4-triol (PubChem CID 154270817) has the molecular formula C12H18O4Se and a molecular weight of 305.23 g/mol. Its IUPAC name is (2R,3S,4R)-5-phenylmethoxy-2-selanylpentane-1,3,4-triol.

Molecular Properties

Compound Name(2R,3S,4R)-5-phenylmethoxy-2-selanylpentane-1,3,4-triol
PubChem CID154270817
Molecular FormulaC12H18O4Se
Molecular Weight305.23 g/mol
Exact Mass306.04
IUPAC Name(2R,3S,4R)-5-phenylmethoxy-2-selanylpentane-1,3,4-triol
SMILESOC[C@@H]([SeH])[C@@H](O)[C@H](O)COCc1ccccc1
InChIInChI=1S/C12H18O4Se/c13-6-11(17)12(15)10(14)8-16-7-9-4-2-1-3-5-9/h1-5,10-15,17H,6-8H2/t10-,11-,12+/m1/s1
InChIKeyZGFADCVDKWUSPR-UTUOFQBUSA-N
XLogP-0.39
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
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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(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308
(2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol
CID 14303090
(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
CID 101350837
CID 172760983
CID 172760983
(2S,3R)-3-bromo-4-phenylmethoxybutane-1,2-diol
CID 101113557
(2R,3R)-2-ethenyl-4-phenylmethoxybutane-1,3-diol
CID 13112316
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2S,3S)-3-bromo-1,4-bis(phenylmethoxy)butan-2-ol
CID 101083353
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
(2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol
CID 10881156

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-5-phenylmethoxy-2-selanylpentane-1,3,4-triol?
The IUPAC name of (2R,3S,4R)-5-phenylmethoxy-2-selanylpentane-1,3,4-triol (CID 154270817) is (2R,3S,4R)-5-phenylmethoxy-2-selanylpentane-1,3,4-triol.
What is the SMILES notation for (2R,3S,4R)-5-phenylmethoxy-2-selanylpentane-1,3,4-triol?
The canonical SMILES for (2R,3S,4R)-5-phenylmethoxy-2-selanylpentane-1,3,4-triol is OC[C@@H]([SeH])[C@@H](O)[C@H](O)COCc1ccccc1.
What is the InChIKey of (2R,3S,4R)-5-phenylmethoxy-2-selanylpentane-1,3,4-triol?
The InChIKey is ZGFADCVDKWUSPR-UTUOFQBUSA-N. The full InChI is InChI=1S/C12H18O4Se/c13-6-11(17)12(15)10(14)8-16-7-9-4-2-1-3-5-9/h1-5,10-15,17H,6-8H2/t10-,11-,12+/m1/s1.
What are the key properties of (2R,3S,4R)-5-phenylmethoxy-2-selanylpentane-1,3,4-triol?
(2R,3S,4R)-5-phenylmethoxy-2-selanylpentane-1,3,4-triol has a molecular weight of 305.23 g/mol, XLogP of -0.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-5-phenylmethoxy-2-selanylpentane-1,3,4-triol is sourced from PubChem (CID 154270817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).