[(2R,3R,4S,5S,6R)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl acetate

C32H50O18Si — CID 11181794

IUPAC[(2R,3R,4S,5S,6R)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C32H50O18Si/c1-15(33)40-13-22-25(27(44-18(4)36)28(45-19(5)37)30(48-22)47-21(7)39)50-31-29(46-20(6)38)26(43-17(3)35)24(42-16(2)34)23(49-31)14-41-51(11,12)32(8,9)10/h22-31H,13-14H2,1-12H3/t22-,23-,24+,25-,26+,27+,28+,29-,30+,31+/m1/s1
InChIKeyOYGBXVKICOCRSB-HXFZIAGASA-N
MW750.82 g/mol
LogP1.63
Rot. Bonds13

About [(2R,3R,4S,5S,6R)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl acetate

[(2R,3R,4S,5S,6R)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl acetate (PubChem CID 11181794) has the molecular formula C32H50O18Si and a molecular weight of 750.82 g/mol. Its IUPAC name is [(2R,3R,4S,5S,6R)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5S,6R)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl acetate
PubChem CID11181794
Molecular FormulaC32H50O18Si
Molecular Weight750.82 g/mol
Exact Mass750.28
IUPAC Name[(2R,3R,4S,5S,6R)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C32H50O18Si/c1-15(33)40-13-22-25(27(44-18(4)36)28(45-19(5)37)30(48-22)47-21(7)39)50-31-29(46-20(6)38)26(43-17(3)35)24(42-16(2)34)23(49-31)14-41-51(11,12)32(8,9)10/h22-31H,13-14H2,1-12H3/t22-,23-,24+,25-,26+,27+,28+,29-,30+,31+/m1/s1
InChIKeyOYGBXVKICOCRSB-HXFZIAGASA-N
XLogP1.63
TPSA221.02 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.82
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze [(2R,3R,4S,5S,6R)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S,6R)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,4S,5S,6R)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl acetate (CID 11181794) is [(2R,3R,4S,5S,6R)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,4S,5S,6R)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,4S,5S,6R)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](CO[Si](C)(C)C(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,5S,6R)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl acetate?
The InChIKey is OYGBXVKICOCRSB-HXFZIAGASA-N. The full InChI is InChI=1S/C32H50O18Si/c1-15(33)40-13-22-25(27(44-18(4)36)28(45-19(5)37)30(48-22)47-21(7)39)50-31-29(46-20(6)38)26(43-17(3)35)24(42-16(2)34)23(49-31)14-41-51(11,12)32(8,9)10/h22-31H,13-14H2,1-12H3/t22-,23-,24+,25-,26+,27+,28+,29-,30+,31+/m1/s1.
What are the key properties of [(2R,3R,4S,5S,6R)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl acetate?
[(2R,3R,4S,5S,6R)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl acetate has a molecular weight of 750.82 g/mol, XLogP of 1.63, 13 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5S,6R)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 11181794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).