[(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-amino-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate

C17H31NO8Si — CID 10894766

IUPAC[(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-amino-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@@H](OCC[Si](C)(C)C)[C@H](N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C17H31NO8Si/c1-10(19)23-9-13-15(24-11(2)20)16(25-12(3)21)14(18)17(26-13)22-7-8-27(4,5)6/h13-17H,7-9,18H2,1-6H3/t13-,14-,15-,16-,17-/m1/s1
InChIKeySQUQBXUYVAZCQG-WRQOLXDDSA-N
MW405.52 g/mol
LogP0.82
Rot. Bonds8

About [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-amino-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate

[(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-amino-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate (PubChem CID 10894766) has the molecular formula C17H31NO8Si and a molecular weight of 405.52 g/mol. Its IUPAC name is [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-amino-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-amino-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate
PubChem CID10894766
Molecular FormulaC17H31NO8Si
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC Name[(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-amino-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@@H](OCC[Si](C)(C)C)[C@H](N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C17H31NO8Si/c1-10(19)23-9-13-15(24-11(2)20)16(25-12(3)21)14(18)17(26-13)22-7-8-27(4,5)6/h13-17H,7-9,18H2,1-6H3/t13-,14-,15-,16-,17-/m1/s1
InChIKeySQUQBXUYVAZCQG-WRQOLXDDSA-N
XLogP0.82
TPSA123.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate
CID 12903142
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(4-trimethylsilylbutoxy)oxan-2-yl]methyl acetate
CID 10552566
sulfuric acid;(3,4,6-triacetyloxy-5-aminooxan-2-yl)methyl acetate
CID 146159643
[(2R,3R,4S,5S)-3,4-diacetyloxy-5-(2-chloroethoxy)oxolan-2-yl]methyl acetate
CID 101089484
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(2-trimethylsilyloxyethoxy)oxan-2-yl]methyl acetate
CID 102501459
[3,4,5-triacetyloxy-6-(2-bromoethoxy)oxan-2-yl]methyl acetate
CID 15298074
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(2-bromoethoxy)oxan-2-yl]methyl acetate
CID 10718565
[(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-ethoxyoxan-2-yl]methyl acetate
CID 54493907
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-ethoxyoxan-2-yl]methyl acetate
CID 14313006
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[2-[dodecyl(dimethyl)silyl]ethoxy]oxan-2-yl]methyl acetate
CID 10817430
[(3R,5R)-3,4,5-triacetyloxy-6-(3-hydroxypropoxy)oxan-2-yl]methyl acetate
CID 70911982
3-[(2R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypropanoic acid
CID 146938953

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-amino-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-amino-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate (CID 10894766) is [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-amino-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-amino-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-amino-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@@H](OCC[Si](C)(C)C)[C@H](N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-amino-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate?
The InChIKey is SQUQBXUYVAZCQG-WRQOLXDDSA-N. The full InChI is InChI=1S/C17H31NO8Si/c1-10(19)23-9-13-15(24-11(2)20)16(25-12(3)21)14(18)17(26-13)22-7-8-27(4,5)6/h13-17H,7-9,18H2,1-6H3/t13-,14-,15-,16-,17-/m1/s1.
What are the key properties of [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-amino-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate?
[(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-amino-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate has a molecular weight of 405.52 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R,6R)-3,4-diacetyloxy-5-amino-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate is sourced from PubChem (CID 10894766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).