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

C24H43NO4Si2 — CID 134883388

IUPAC(1S,2S,5R,6R,7R,8R)-5-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-7-[dimethyl(phenyl)silyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol
SMILESCCCC(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/c1-8-14-24(2,3)31(6,7)29-16-18-21(27)23(20-22(28)19(26)15-25(18)20)30(4,5)17-12-10-9-11-13-17/h9-13,18-23,26-28H,8,14-16H2,1-7H3/t18-,19+,20-,21-,22-,23-/m1/s1
InChIKeyPPAWWTOOPHQPCQ-YPEXMJEGSA-N
MW465.78 g/mol
LogP2.92
Rot. Bonds8

About (1S,2S,5R,6R,7R,8R)-5-[[dimethyl(2-methylpentan-2-yl)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-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-7-[dimethyl(phenyl)silyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol (PubChem CID 134883388) 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-[[dimethyl(2-methylpentan-2-yl)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-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-7-[dimethyl(phenyl)silyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol
PubChem CID134883388
Molecular FormulaC24H43NO4Si2
Molecular Weight465.78 g/mol
Exact Mass465.27
IUPAC Name(1S,2S,5R,6R,7R,8R)-5-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-7-[dimethyl(phenyl)silyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol
SMILESCCCC(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/c1-8-14-24(2,3)31(6,7)29-16-18-21(27)23(20-22(28)19(26)15-25(18)20)30(4,5)17-12-10-9-11-13-17/h9-13,18-23,26-28H,8,14-16H2,1-7H3/t18-,19+,20-,21-,22-,23-/m1/s1
InChIKeyPPAWWTOOPHQPCQ-YPEXMJEGSA-N
XLogP2.92
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.78
LogP ≤ 52.92
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-[[dimethyl(2-methylpentan-2-yl)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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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R,6R,7R,8R)-5-[[dimethyl(2-methylpentan-2-yl)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-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-7-[dimethyl(phenyl)silyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol (CID 134883388) is (1S,2S,5R,6R,7R,8R)-5-[[dimethyl(2-methylpentan-2-yl)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-[[dimethyl(2-methylpentan-2-yl)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-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-7-[dimethyl(phenyl)silyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol is CCCC(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-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-7-[dimethyl(phenyl)silyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol?
The InChIKey is PPAWWTOOPHQPCQ-YPEXMJEGSA-N. The full InChI is InChI=1S/C24H43NO4Si2/c1-8-14-24(2,3)31(6,7)29-16-18-21(27)23(20-22(28)19(26)15-25(18)20)30(4,5)17-12-10-9-11-13-17/h9-13,18-23,26-28H,8,14-16H2,1-7H3/t18-,19+,20-,21-,22-,23-/m1/s1.
What are the key properties of (1S,2S,5R,6R,7R,8R)-5-[[dimethyl(2-methylpentan-2-yl)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-[[dimethyl(2-methylpentan-2-yl)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 2.92, 8 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-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-7-[dimethyl(phenyl)silyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6-triol is sourced from PubChem (CID 134883388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).