methyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-trihydroxyoxane-2-carboxylate

C14H28O7Si — CID 59949901

IUPACmethyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-trihydroxyoxane-2-carboxylate
SMILESCOC(=O)C1O[C@H](CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O
InChIInChI=1S/C14H28O7Si/c1-14(2,3)22(5,6)20-7-8-9(15)10(16)11(17)12(21-8)13(18)19-4/h8-12,15-17H,7H2,1-6H3/t8-,9?,10?,11?,12?/m1/s1
InChIKeySKAJLOXMZQGAOS-AAWJQDODSA-N
MW336.46 g/mol
LogP0.03
Rot. Bonds4

About methyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-trihydroxyoxane-2-carboxylate

methyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-trihydroxyoxane-2-carboxylate (PubChem CID 59949901) has the molecular formula C14H28O7Si and a molecular weight of 336.46 g/mol. Its IUPAC name is methyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-trihydroxyoxane-2-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-trihydroxyoxane-2-carboxylate
PubChem CID59949901
Molecular FormulaC14H28O7Si
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Namemethyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-trihydroxyoxane-2-carboxylate
SMILESCOC(=O)C1O[C@H](CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O
InChIInChI=1S/C14H28O7Si/c1-14(2,3)22(5,6)20-7-8-9(15)10(16)11(17)12(21-8)13(18)19-4/h8-12,15-17H,7H2,1-6H3/t8-,9?,10?,11?,12?/m1/s1
InChIKeySKAJLOXMZQGAOS-AAWJQDODSA-N
XLogP0.03
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 methyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-trihydroxyoxane-2-carboxylate?
The IUPAC name of methyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-trihydroxyoxane-2-carboxylate (CID 59949901) is methyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-trihydroxyoxane-2-carboxylate.
What is the SMILES notation for methyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-trihydroxyoxane-2-carboxylate?
The canonical SMILES for methyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-trihydroxyoxane-2-carboxylate is COC(=O)C1O[C@H](CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O.
What is the InChIKey of methyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-trihydroxyoxane-2-carboxylate?
The InChIKey is SKAJLOXMZQGAOS-AAWJQDODSA-N. The full InChI is InChI=1S/C14H28O7Si/c1-14(2,3)22(5,6)20-7-8-9(15)10(16)11(17)12(21-8)13(18)19-4/h8-12,15-17H,7H2,1-6H3/t8-,9?,10?,11?,12?/m1/s1.
What are the key properties of methyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-trihydroxyoxane-2-carboxylate?
methyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-trihydroxyoxane-2-carboxylate has a molecular weight of 336.46 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4,5-trihydroxyoxane-2-carboxylate is sourced from PubChem (CID 59949901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).