(2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]selenolane-3,4-diol

C6H12O4Se — CID 57331736

IUPAC(2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]selenolane-3,4-diol
SMILESOC[C@@H](O)[C@@H]1[Se]C[C@H](O)[C@@H]1O
InChIInChI=1S/C6H12O4Se/c7-1-3(8)6-5(10)4(9)2-11-6/h3-10H,1-2H2/t3-,4+,5+,6+/m1/s1
InChIKeyIYRQFQMJBKEXEK-VANKVMQKSA-N
MW227.12 g/mol
LogP-2.01
Rot. Bonds2

About (2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]selenolane-3,4-diol

(2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]selenolane-3,4-diol (PubChem CID 57331736) has the molecular formula C6H12O4Se and a molecular weight of 227.12 g/mol. Its IUPAC name is (2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]selenolane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]selenolane-3,4-diol
PubChem CID57331736
Molecular FormulaC6H12O4Se
Molecular Weight227.12 g/mol
Exact Mass227.99
IUPAC Name(2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]selenolane-3,4-diol
SMILESOC[C@@H](O)[C@@H]1[Se]C[C@H](O)[C@@H]1O
InChIInChI=1S/C6H12O4Se/c7-1-3(8)6-5(10)4(9)2-11-6/h3-10H,1-2H2/t3-,4+,5+,6+/m1/s1
InChIKeyIYRQFQMJBKEXEK-VANKVMQKSA-N
XLogP-2.01
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.12
LogP ≤ 5-2.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]selenolane-3,4-diol?
The IUPAC name of (2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]selenolane-3,4-diol (CID 57331736) is (2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]selenolane-3,4-diol.
What is the SMILES notation for (2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]selenolane-3,4-diol?
The canonical SMILES for (2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]selenolane-3,4-diol is OC[C@@H](O)[C@@H]1[Se]C[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]selenolane-3,4-diol?
The InChIKey is IYRQFQMJBKEXEK-VANKVMQKSA-N. The full InChI is InChI=1S/C6H12O4Se/c7-1-3(8)6-5(10)4(9)2-11-6/h3-10H,1-2H2/t3-,4+,5+,6+/m1/s1.
What are the key properties of (2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]selenolane-3,4-diol?
(2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]selenolane-3,4-diol has a molecular weight of 227.12 g/mol, XLogP of -2.01, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]selenolane-3,4-diol is sourced from PubChem (CID 57331736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).