[(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-trimethylsilyloxyoxan-2-yl]methyl acetate

C17H28O10Si — CID 134878381

IUPAC[(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-trimethylsilyloxyoxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC(O[Si](C)(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C17H28O10Si/c1-9(18)22-8-13-14(23-10(2)19)15(24-11(3)20)16(25-12(4)21)17(26-13)27-28(5,6)7/h13-17H,8H2,1-7H3/t13-,14-,15+,16-,17?/m1/s1
InChIKeyNRJIIUKUAQBWBU-VDWCLKJHSA-N
MW420.49 g/mol
LogP0.92
Rot. Bonds7

About [(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-trimethylsilyloxyoxan-2-yl]methyl acetate

[(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-trimethylsilyloxyoxan-2-yl]methyl acetate (PubChem CID 134878381) has the molecular formula C17H28O10Si and a molecular weight of 420.49 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-trimethylsilyloxyoxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-trimethylsilyloxyoxan-2-yl]methyl acetate
PubChem CID134878381
Molecular FormulaC17H28O10Si
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC Name[(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-trimethylsilyloxyoxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC(O[Si](C)(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C17H28O10Si/c1-9(18)22-8-13-14(23-10(2)19)15(24-11(3)20)16(25-12(4)21)17(26-13)27-28(5,6)7/h13-17H,8H2,1-7H3/t13-,14-,15+,16-,17?/m1/s1
InChIKeyNRJIIUKUAQBWBU-VDWCLKJHSA-N
XLogP0.92
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-trimethylsilyloxyoxan-2-yl]methyl acetate with MolForge

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Related Compounds

beta-D-Glucose pentaacetate
CID 2724702
alpha-D-glucose pentaacetate
CID 2723636
alpha-D-Glucopyranoside, methyl, tetraacetate
CID 95144
beta-D-Galactose pentaacetate
CID 94752
alpha-D-Mannose pentaacetate
CID 11741089
beta-D-Galactopyranose pentaacetate
CID 79064
(4,5,6-Triacetyloxy-2-methyloxan-3-yl) acetate
CID 273721
Methyl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside
CID 2728821
((2R,3S,4S,5R)-3,4,5,6-tetrakis(acetyloxy)oxan-2-yl)methyl acetate
CID 2729838
L-Mannopyranose, 6-deoxy-, tetraacetate
CID 10947545
1,2,3,4,6-Penta-O-acetyl-D-mannopyranose
CID 11811209
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(1,3-diacetyloxypropan-2-yloxy)oxan-2-yl]methyl acetate
CID 14802416

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-trimethylsilyloxyoxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-trimethylsilyloxyoxan-2-yl]methyl acetate (CID 134878381) is [(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-trimethylsilyloxyoxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-trimethylsilyloxyoxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-trimethylsilyloxyoxan-2-yl]methyl acetate is CC(=O)OC[C@H]1OC(O[Si](C)(C)C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-trimethylsilyloxyoxan-2-yl]methyl acetate?
The InChIKey is NRJIIUKUAQBWBU-VDWCLKJHSA-N. The full InChI is InChI=1S/C17H28O10Si/c1-9(18)22-8-13-14(23-10(2)19)15(24-11(3)20)16(25-12(4)21)17(26-13)27-28(5,6)7/h13-17H,8H2,1-7H3/t13-,14-,15+,16-,17?/m1/s1.
What are the key properties of [(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-trimethylsilyloxyoxan-2-yl]methyl acetate?
[(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-trimethylsilyloxyoxan-2-yl]methyl acetate has a molecular weight of 420.49 g/mol, XLogP of 0.92, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-trimethylsilyloxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 134878381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).