[(2R,3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate

C27H58O7Si3 — CID 14408414

IUPAC[(2R,3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate
SMILESCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)=O
InChIInChI=1S/C27H58O7Si3/c1-19(28)31-23-22(34-37(16,17)27(8,9)10)21(33-36(14,15)26(5,6)7)20(32-24(23)29-11)18-30-35(12,13)25(2,3)4/h20-24H,18H2,1-17H3/t20-,21+,22+,23-,24-/m1/s1
InChIKeyHCPWNEUNEGDCCX-OYTPZHDJSA-N
MW579.01 g/mol
LogP7.09
Rot. Bonds9

About [(2R,3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate

[(2R,3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate (PubChem CID 14408414) has the molecular formula C27H58O7Si3 and a molecular weight of 579.01 g/mol. Its IUPAC name is [(2R,3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate
PubChem CID14408414
Molecular FormulaC27H58O7Si3
Molecular Weight579.01 g/mol
Exact Mass578.35
IUPAC Name[(2R,3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate
SMILESCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)=O
InChIInChI=1S/C27H58O7Si3/c1-19(28)31-23-22(34-37(16,17)27(8,9)10)21(33-36(14,15)26(5,6)7)20(32-24(23)29-11)18-30-35(12,13)25(2,3)4/h20-24H,18H2,1-17H3/t20-,21+,22+,23-,24-/m1/s1
InChIKeyHCPWNEUNEGDCCX-OYTPZHDJSA-N
XLogP7.09
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.01
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2R,3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate with MolForge

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Related Compounds

alpha-D-Glucopyranose, 1,2,3,4,6-pentakis-O-(trimethylsilyl)-
CID 11038830
((2S,3R,4S,5R,6R)-2-methoxy-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-yl)oxy-trimethylsilane
CID 11730569
beta-D-Glucopyranose, TMS
CID 13587619
1,2,3,4,6-Pentakis-O-(trimethylsilyl)hexopyranose
CID 520562
alpha-Galactose, TMS
CID 6427851
Glyceryl-glycoside TMS ether
CID 91733362
TBDMS(-2)[TBDMS(-3)][TBDMS(-6)]a-Glc1F4Ac
CID 134937551
TBDMS(-2)[TBDMS(-3)][TBDMS(-6)]b-Glc1F4Ac
CID 134938070
D-Galactose, TMS
CID 91747814
trimethyl-[(2S,3R,4R,5S)-2-methyl-3,5,6-tris(trimethylsilyloxy)oxan-4-yl]oxysilane
CID 11733119
Trimethylsilyl-L-(+)-rhamnose
CID 11858821
[(1S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,7-dioxabicyclo[4.1.0]heptan-3-yl]methoxy-tert-butyl-dimethylsilane
CID 11027555

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate?
The IUPAC name of [(2R,3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate (CID 14408414) is [(2R,3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate?
The canonical SMILES for [(2R,3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate is CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate?
The InChIKey is HCPWNEUNEGDCCX-OYTPZHDJSA-N. The full InChI is InChI=1S/C27H58O7Si3/c1-19(28)31-23-22(34-37(16,17)27(8,9)10)21(33-36(14,15)26(5,6)7)20(32-24(23)29-11)18-30-35(12,13)25(2,3)4/h20-24H,18H2,1-17H3/t20-,21+,22+,23-,24-/m1/s1.
What are the key properties of [(2R,3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate?
[(2R,3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate has a molecular weight of 579.01 g/mol, XLogP of 7.09, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5S,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxyoxan-3-yl] acetate is sourced from PubChem (CID 14408414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).