(3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol

C13H28O6Si — CID 134949639

IUPAC(3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
SMILESCO[C@H]1OC(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(O)C1O
InChIInChI=1S/C13H28O6Si/c1-13(2,3)20(5,6)18-7-8-9(14)10(15)11(16)12(17-4)19-8/h8-12,14-16H,7H2,1-6H3/t8?,9-,10?,11?,12+/m1/s1
InChIKeyPJPAPOCZOTYLIT-FSKVMLQNSA-N
MW308.45 g/mol
LogP0.46
Rot. Bonds4

About (3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol

(3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol (PubChem CID 134949639) has the molecular formula C13H28O6Si and a molecular weight of 308.45 g/mol. Its IUPAC name is (3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
PubChem CID134949639
Molecular FormulaC13H28O6Si
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name(3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
SMILESCO[C@H]1OC(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(O)C1O
InChIInChI=1S/C13H28O6Si/c1-13(2,3)20(5,6)18-7-8-9(14)10(15)11(16)12(17-4)19-8/h8-12,14-16H,7H2,1-6H3/t8?,9-,10?,11?,12+/m1/s1
InChIKeyPJPAPOCZOTYLIT-FSKVMLQNSA-N
XLogP0.46
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 (3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol?
The IUPAC name of (3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol (CID 134949639) is (3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol.
What is the SMILES notation for (3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol?
The canonical SMILES for (3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol is CO[C@H]1OC(CO[Si](C)(C)C(C)(C)C)[C@@H](O)C(O)C1O.
What is the InChIKey of (3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol?
The InChIKey is PJPAPOCZOTYLIT-FSKVMLQNSA-N. The full InChI is InChI=1S/C13H28O6Si/c1-13(2,3)20(5,6)18-7-8-9(14)10(15)11(16)12(17-4)19-8/h8-12,14-16H,7H2,1-6H3/t8?,9-,10?,11?,12+/m1/s1.
What are the key properties of (3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol?
(3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol has a molecular weight of 308.45 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol is sourced from PubChem (CID 134949639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).