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

C17H34O11Si — CID 139676686

IUPAC(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2-trimethylsilylethoxy)oxane-3,4,5-triol
SMILESC[Si](C)(C)CCO[C@]1([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C17H34O11Si/c1-29(2,3)5-4-26-17(15(25)13(23)11(21)9(7-19)28-17)16-14(24)12(22)10(20)8(6-18)27-16/h8-16,18-25H,4-7H2,1-3H3/t8-,9-,10+,11-,12+,13+,14-,15-,16-,17+/m1/s1
InChIKeyHISFXVPKPAOSLA-KSQSDQAUSA-N
MW442.53 g/mol
LogP-3.65
Rot. Bonds7

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

(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2-trimethylsilylethoxy)oxane-3,4,5-triol (PubChem CID 139676686) has the molecular formula C17H34O11Si and a molecular weight of 442.53 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2-trimethylsilylethoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2-trimethylsilylethoxy)oxane-3,4,5-triol
PubChem CID139676686
Molecular FormulaC17H34O11Si
Molecular Weight442.53 g/mol
Exact Mass442.19
IUPAC Name(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2-trimethylsilylethoxy)oxane-3,4,5-triol
SMILESC[Si](C)(C)CCO[C@]1([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C17H34O11Si/c1-29(2,3)5-4-26-17(15(25)13(23)11(21)9(7-19)28-17)16-14(24)12(22)10(20)8(6-18)27-16/h8-16,18-25H,4-7H2,1-3H3/t8-,9-,10+,11-,12+,13+,14-,15-,16-,17+/m1/s1
InChIKeyHISFXVPKPAOSLA-KSQSDQAUSA-N
XLogP-3.65
TPSA189.53 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500442.53
LogP ≤ 5-3.65
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2-trimethylsilylethoxy)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2-trimethylsilylethoxy)oxane-3,4,5-triol (CID 139676686) is (2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2-trimethylsilylethoxy)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2-trimethylsilylethoxy)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2-trimethylsilylethoxy)oxane-3,4,5-triol is C[Si](C)(C)CCO[C@]1([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2-trimethylsilylethoxy)oxane-3,4,5-triol?
The InChIKey is HISFXVPKPAOSLA-KSQSDQAUSA-N. The full InChI is InChI=1S/C17H34O11Si/c1-29(2,3)5-4-26-17(15(25)13(23)11(21)9(7-19)28-17)16-14(24)12(22)10(20)8(6-18)27-16/h8-16,18-25H,4-7H2,1-3H3/t8-,9-,10+,11-,12+,13+,14-,15-,16-,17+/m1/s1.
What are the key properties of (2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2-trimethylsilylethoxy)oxane-3,4,5-triol?
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2-trimethylsilylethoxy)oxane-3,4,5-triol has a molecular weight of 442.53 g/mol, XLogP of -3.65, 7 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2-trimethylsilylethoxy)oxane-3,4,5-triol is sourced from PubChem (CID 139676686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).