(2S,3R,4S,5R)-2-(hydroxymethyl)selenane-3,4,5-triol

C6H12O4Se — CID 57331690

IUPAC(2S,3R,4S,5R)-2-(hydroxymethyl)selenane-3,4,5-triol
SMILESOC[C@@H]1[Se]C[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H12O4Se/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4-,5-,6-/m0/s1
InChIKeyIYGOUMKNNPEILJ-BXKVDMCESA-N
MW227.12 g/mol
LogP-2.01
Rot. Bonds1

About (2S,3R,4S,5R)-2-(hydroxymethyl)selenane-3,4,5-triol

(2S,3R,4S,5R)-2-(hydroxymethyl)selenane-3,4,5-triol (PubChem CID 57331690) has the molecular formula C6H12O4Se and a molecular weight of 227.12 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-(hydroxymethyl)selenane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-(hydroxymethyl)selenane-3,4,5-triol
PubChem CID57331690
Molecular FormulaC6H12O4Se
Molecular Weight227.12 g/mol
Exact Mass227.99
IUPAC Name(2S,3R,4S,5R)-2-(hydroxymethyl)selenane-3,4,5-triol
SMILESOC[C@@H]1[Se]C[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H12O4Se/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4-,5-,6-/m0/s1
InChIKeyIYGOUMKNNPEILJ-BXKVDMCESA-N
XLogP-2.01
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
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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Related Compounds

(2S,3R,4R,5S)-2-(hydroxymethyl)selenane-3,4,5-triol
CID 57331700
(2S,3S,4R)-2-[(1R)-1,2-dihydroxyethyl]selenolane-3,4-diol
CID 57331736
(1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol
CID 10920662
(1R,2S,3R,4S)-3-(hydroxymethyl)cyclopentane-1,2,4-triol
CID 11412460
(1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 176819979
(1S,2S,3S,4S,5R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 11332802
(1R,2R,3R,4S)-4-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 6102431
(2R,3R,4R,5R)-5-(hydroxymethyl)-6-azoniaspiro[5.5]undecane-2,3,4-triol bromide
CID 72943413
(3S,4S,5S,6S)-5,6-bis(hydroxymethyl)oxane-3,4-diol
CID 166946041
(1S,2S,3S,5R,6S,7R)-8-(hydroxymethyl)cyclooctane-1,2,3,4,5,6,7-heptol
CID 25258192
(1S,2R,3R,4S,5R,6S)-5,6-bis(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 25167508
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-(hydroxymethyl)selenane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5R)-2-(hydroxymethyl)selenane-3,4,5-triol (CID 57331690) is (2S,3R,4S,5R)-2-(hydroxymethyl)selenane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5R)-2-(hydroxymethyl)selenane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5R)-2-(hydroxymethyl)selenane-3,4,5-triol is OC[C@@H]1[Se]C[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-2-(hydroxymethyl)selenane-3,4,5-triol?
The InChIKey is IYGOUMKNNPEILJ-BXKVDMCESA-N. The full InChI is InChI=1S/C6H12O4Se/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4-,5-,6-/m0/s1.
What are the key properties of (2S,3R,4S,5R)-2-(hydroxymethyl)selenane-3,4,5-triol?
(2S,3R,4S,5R)-2-(hydroxymethyl)selenane-3,4,5-triol has a molecular weight of 227.12 g/mol, XLogP of -2.01, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-(hydroxymethyl)selenane-3,4,5-triol is sourced from PubChem (CID 57331690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).