(1S,2S,5R,6R,7R,8R)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-7-[dimethyl(phenyl)silyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol

C24H43NO4Si2 — CID 11070649

IUPAC(1S,2S,5R,6R,7R,8R)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-7-[dimethyl(phenyl)silyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol
SMILESCC(C)C(C)(C)[Si](C)(C)OC[C@@H]1[C@@H](O)[C@H]([Si](C)(C)c2ccccc2)[C@H]2[C@H](O)[C@@H](O)CN21
InChIInChI=1S/C24H43NO4Si2/c1-16(2)24(3,4)31(7,8)29-15-18-21(27)23(20-22(28)19(26)14-25(18)20)30(5,6)17-12-10-9-11-13-17/h9-13,16,18-23,26-28H,14-15H2,1-8H3/t18-,19+,20-,21-,22-,23-/m1/s1
InChIKeyJCUJDNNEPACXJT-YPEXMJEGSA-N
MW465.78 g/mol
LogP2.78
Rot. Bonds7

About (1S,2S,5R,6R,7R,8R)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-7-[dimethyl(phenyl)silyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol

(1S,2S,5R,6R,7R,8R)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-7-[dimethyl(phenyl)silyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol (PubChem CID 11070649) has the molecular formula C24H43NO4Si2 and a molecular weight of 465.78 g/mol. Its IUPAC name is (1S,2S,5R,6R,7R,8R)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-7-[dimethyl(phenyl)silyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol.

Molecular Properties

Compound Name(1S,2S,5R,6R,7R,8R)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-7-[dimethyl(phenyl)silyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol
PubChem CID11070649
Molecular FormulaC24H43NO4Si2
Molecular Weight465.78 g/mol
Exact Mass465.27
IUPAC Name(1S,2S,5R,6R,7R,8R)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-7-[dimethyl(phenyl)silyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol
SMILESCC(C)C(C)(C)[Si](C)(C)OC[C@@H]1[C@@H](O)[C@H]([Si](C)(C)c2ccccc2)[C@H]2[C@H](O)[C@@H](O)CN21
InChIInChI=1S/C24H43NO4Si2/c1-16(2)24(3,4)31(7,8)29-15-18-21(27)23(20-22(28)19(26)14-25(18)20)30(5,6)17-12-10-9-11-13-17/h9-13,16,18-23,26-28H,14-15H2,1-8H3/t18-,19+,20-,21-,22-,23-/m1/s1
InChIKeyJCUJDNNEPACXJT-YPEXMJEGSA-N
XLogP2.78
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.78
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1S,2S,5R,6R,7R,8R)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-7-[dimethyl(phenyl)silyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol with MolForge

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Related Compounds

benzyl (2R,3R)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-phenylazetidine-1-carboxylate
CID 11730152
(2R,3R,4R,5S)-1-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-3,4,5-triol
CID 22856139
tert-butyl (2R,3S,4S,5S)-3-benzoyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,5-dihydroxypiperidine-1-carboxylate
CID 11444843
(3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 154429024
tert-butyl-dimethyl-[[(2S,3R)-1-methyl-3-phenylaziridin-2-yl]methoxy]silane
CID 11471425
2-[1-[2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-1-phenylethyl]-3,6-dihydro-2H-pyridin-2-yl]-1-phenylethanol
CID 70117060
(3R,5R,6R,7S)-N-tert-butyl-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-phenylethyl)-1,4-diazabicyclo[4.1.0]heptane-5-carboxamide
CID 101498061
tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[tert-butyl(diphenyl)silyl]oxy-4-oxoazetidine-1-carboxylate
CID 11421732
1-[(2R)-2-phenylpropyl]piperidine-3,4,5-triol
CID 157039301
(1S,2R,3S,4R)-3-[dimethyl(phenyl)silyl]-4-[dimethyl-[4-(trifluoromethyl)phenyl]silyl]cyclobutane-1,2-diol
CID 16663926
(1R)-1-[(2S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]ethane-1,2-diol
CID 11452775
tert-butyl-[2-[cyclohexylmethoxy(dimethyl)silyl]-2-methyl-1-phenylpropoxy]-dimethylsilane
CID 18922427

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R,6R,7R,8R)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-7-[dimethyl(phenyl)silyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol?
The IUPAC name of (1S,2S,5R,6R,7R,8R)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-7-[dimethyl(phenyl)silyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol (CID 11070649) is (1S,2S,5R,6R,7R,8R)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-7-[dimethyl(phenyl)silyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol.
What is the SMILES notation for (1S,2S,5R,6R,7R,8R)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-7-[dimethyl(phenyl)silyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol?
The canonical SMILES for (1S,2S,5R,6R,7R,8R)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-7-[dimethyl(phenyl)silyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol is CC(C)C(C)(C)[Si](C)(C)OC[C@@H]1[C@@H](O)[C@H]([Si](C)(C)c2ccccc2)[C@H]2[C@H](O)[C@@H](O)CN21.
What is the InChIKey of (1S,2S,5R,6R,7R,8R)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-7-[dimethyl(phenyl)silyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol?
The InChIKey is JCUJDNNEPACXJT-YPEXMJEGSA-N. The full InChI is InChI=1S/C24H43NO4Si2/c1-16(2)24(3,4)31(7,8)29-15-18-21(27)23(20-22(28)19(26)14-25(18)20)30(5,6)17-12-10-9-11-13-17/h9-13,16,18-23,26-28H,14-15H2,1-8H3/t18-,19+,20-,21-,22-,23-/m1/s1.
What are the key properties of (1S,2S,5R,6R,7R,8R)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-7-[dimethyl(phenyl)silyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol?
(1S,2S,5R,6R,7R,8R)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-7-[dimethyl(phenyl)silyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol has a molecular weight of 465.78 g/mol, XLogP of 2.78, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R,6R,7R,8R)-5-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-7-[dimethyl(phenyl)silyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol is sourced from PubChem (CID 11070649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).