(1S,2R,5R,6R,7R,8R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-dihydroxy-6,7-bis(phenylmethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C38H43NO6Si — CID 11308188

IUPAC(1S,2R,5R,6R,7R,8R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-dihydroxy-6,7-bis(phenylmethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCC(C)(C)[Si](OC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]2[C@H](O)[C@@H](O)C(=O)N21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H43NO6Si/c1-38(2,3)46(29-20-12-6-13-21-29,30-22-14-7-15-23-30)45-26-31-35(43-24-27-16-8-4-9-17-27)36(44-25-28-18-10-5-11-19-28)32-33(40)34(41)37(42)39(31)32/h4-23,31-36,40-41H,24-26H2,1-3H3/t31-,32-,33+,34-,35-,36-/m1/s1
InChIKeyPVILLOYDBRLEPW-DWJBRYGOSA-N
MW637.85 g/mol
LogP4.05
Rot. Bonds11

About (1S,2R,5R,6R,7R,8R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-dihydroxy-6,7-bis(phenylmethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one

(1S,2R,5R,6R,7R,8R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-dihydroxy-6,7-bis(phenylmethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 11308188) has the molecular formula C38H43NO6Si and a molecular weight of 637.85 g/mol. Its IUPAC name is (1S,2R,5R,6R,7R,8R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-dihydroxy-6,7-bis(phenylmethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(1S,2R,5R,6R,7R,8R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-dihydroxy-6,7-bis(phenylmethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID11308188
Molecular FormulaC38H43NO6Si
Molecular Weight637.85 g/mol
Exact Mass637.29
IUPAC Name(1S,2R,5R,6R,7R,8R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-dihydroxy-6,7-bis(phenylmethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESCC(C)(C)[Si](OC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]2[C@H](O)[C@@H](O)C(=O)N21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H43NO6Si/c1-38(2,3)46(29-20-12-6-13-21-29,30-22-14-7-15-23-30)45-26-31-35(43-24-27-16-8-4-9-17-27)36(44-25-28-18-10-5-11-19-28)32-33(40)34(41)37(42)39(31)32/h4-23,31-36,40-41H,24-26H2,1-3H3/t31-,32-,33+,34-,35-,36-/m1/s1
InChIKeyPVILLOYDBRLEPW-DWJBRYGOSA-N
XLogP4.05
TPSA88.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.85
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1S,2R,5R,6R,7R,8R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-dihydroxy-6,7-bis(phenylmethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one with MolForge

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Launch Full Analysis

Related Compounds

(4R)-4-benzyl-3-[(2R,3S,5S,6R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,6-dimethyl-7-phenylmethoxyheptanoyl]-1,3-oxazolidin-2-one
CID 25112697
(1S,5R,6R,7R,8S)-1-[dimethyl(phenyl)silyl]-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 57325792
benzyl 4-[1,2-dihydroxy-3-oxo-4-[(2R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134969787
ethyl (2S,3S,3aS,4R,5R,6R)-3-[dimethyl(phenyl)silyl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxylate
CID 25223735
(1S,2S,5R,6R,7R,8S)-1-[dimethyl(phenyl)silyl]-2-hydroxy-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 25223736
[(1S,2S,5R,6R,7R,8S)-3-oxo-1,6,7-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-2-yl] benzoate
CID 44603675
(2R,5R,6R,7R,8R)-2-hydroxy-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 49843754
methyl (1S,2R,5R,6R,7R,8R)-2-hydroxy-3-oxo-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate
CID 49843861
[(2R,5R,6R,7R,8R)-3-oxo-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-2-yl] methanesulfonate
CID 101233501
(4S)-4-benzyl-3-[(2S,3R,5R,6S)-7-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-5-methoxy-6-methyl-2-[(E)-3-phenylmethoxyprop-1-enyl]heptanoyl]-1,3-oxazolidin-2-one
CID 11050937
(5R,6R,7R,8R)-6,7-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 11213263
benzyl (2R,3R,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(1R,2S)-1,2-dihydroxy-3-methoxy-3-oxopropyl]-3,4-bis(phenylmethoxy)pyrrolidine-1-carboxylate
CID 11251368

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R,6R,7R,8R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-dihydroxy-6,7-bis(phenylmethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (1S,2R,5R,6R,7R,8R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-dihydroxy-6,7-bis(phenylmethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 11308188) is (1S,2R,5R,6R,7R,8R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-dihydroxy-6,7-bis(phenylmethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (1S,2R,5R,6R,7R,8R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-dihydroxy-6,7-bis(phenylmethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (1S,2R,5R,6R,7R,8R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-dihydroxy-6,7-bis(phenylmethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is CC(C)(C)[Si](OC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]2[C@H](O)[C@@H](O)C(=O)N21)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2R,5R,6R,7R,8R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-dihydroxy-6,7-bis(phenylmethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is PVILLOYDBRLEPW-DWJBRYGOSA-N. The full InChI is InChI=1S/C38H43NO6Si/c1-38(2,3)46(29-20-12-6-13-21-29,30-22-14-7-15-23-30)45-26-31-35(43-24-27-16-8-4-9-17-27)36(44-25-28-18-10-5-11-19-28)32-33(40)34(41)37(42)39(31)32/h4-23,31-36,40-41H,24-26H2,1-3H3/t31-,32-,33+,34-,35-,36-/m1/s1.
What are the key properties of (1S,2R,5R,6R,7R,8R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-dihydroxy-6,7-bis(phenylmethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(1S,2R,5R,6R,7R,8R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-dihydroxy-6,7-bis(phenylmethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 637.85 g/mol, XLogP of 4.05, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R,6R,7R,8R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-dihydroxy-6,7-bis(phenylmethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 11308188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).