(2S,3R,4S,5R,6R)-2-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2-(methylselanylmethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C18H36O10SeSi — CID 86223062

IUPAC(2S,3R,4S,5R,6R)-2-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2-(methylselanylmethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESC[Se]C[C@H]1O[C@@H](OCC[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C18H36O10SeSi/c1-29-8-10-16(28-18-14(23)12(21)11(20)9(7-19)26-18)13(22)15(24)17(27-10)25-5-6-30(2,3)4/h9-24H,5-8H2,1-4H3/t9-,10-,11+,12+,13-,14-,15-,16-,17-,18+/m1/s1
InChIKeyDAHDBHYUNUXOAL-MUKCROHVSA-N
MW519.52 g/mol
LogP-1.86
Rot. Bonds9

About (2S,3R,4S,5R,6R)-2-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2-(methylselanylmethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4S,5R,6R)-2-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2-(methylselanylmethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 86223062) has the molecular formula C18H36O10SeSi and a molecular weight of 519.52 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-2-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2-(methylselanylmethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-2-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2-(methylselanylmethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID86223062
Molecular FormulaC18H36O10SeSi
Molecular Weight519.52 g/mol
Exact Mass520.12
IUPAC Name(2S,3R,4S,5R,6R)-2-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2-(methylselanylmethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESC[Se]C[C@H]1O[C@@H](OCC[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C18H36O10SeSi/c1-29-8-10-16(28-18-14(23)12(21)11(20)9(7-19)26-18)13(22)15(24)17(27-10)25-5-6-30(2,3)4/h9-24H,5-8H2,1-4H3/t9-,10-,11+,12+,13-,14-,15-,16-,17-,18+/m1/s1
InChIKeyDAHDBHYUNUXOAL-MUKCROHVSA-N
XLogP-1.86
TPSA158.30 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.52
LogP ≤ 5-1.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (2S,3R,4S,5R,6R)-2-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2-(methylselanylmethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-2-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2-(methylselanylmethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5R,6R)-2-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2-(methylselanylmethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 86223062) is (2S,3R,4S,5R,6R)-2-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2-(methylselanylmethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5R,6R)-2-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2-(methylselanylmethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5R,6R)-2-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2-(methylselanylmethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is C[Se]C[C@H]1O[C@@H](OCC[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R,6R)-2-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2-(methylselanylmethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is DAHDBHYUNUXOAL-MUKCROHVSA-N. The full InChI is InChI=1S/C18H36O10SeSi/c1-29-8-10-16(28-18-14(23)12(21)11(20)9(7-19)26-18)13(22)15(24)17(27-10)25-5-6-30(2,3)4/h9-24H,5-8H2,1-4H3/t9-,10-,11+,12+,13-,14-,15-,16-,17-,18+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-2-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2-(methylselanylmethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3R,4S,5R,6R)-2-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2-(methylselanylmethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 519.52 g/mol, XLogP of -1.86, 9 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-2-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2-(methylselanylmethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 86223062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).