(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

C37H41NO5Si — CID 25223736

IUPAC(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
SMILESC[Si](C)(c1ccccc1)[C@H]1[C@@H]2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](COCc3ccccc3)N2C(=O)[C@@H]1O
InChIInChI=1S/C37H41NO5Si/c1-44(2,30-21-13-6-14-22-30)36-32-35(43-25-29-19-11-5-12-20-29)34(42-24-28-17-9-4-10-18-28)31(38(32)37(40)33(36)39)26-41-23-27-15-7-3-8-16-27/h3-22,31-36,39H,23-26H2,1-2H3/t31-,32+,33-,34-,35-,36+/m1/s1
InChIKeyCJOYAUVORKMTLN-BAKSPFSNSA-N
MW607.82 g/mol
LogP5.31
Rot. Bonds12

About (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

(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 (PubChem CID 25223736) has the molecular formula C37H41NO5Si and a molecular weight of 607.82 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID25223736
Molecular FormulaC37H41NO5Si
Molecular Weight607.82 g/mol
Exact Mass607.28
IUPAC Name(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
SMILESC[Si](C)(c1ccccc1)[C@H]1[C@@H]2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](COCc3ccccc3)N2C(=O)[C@@H]1O
InChIInChI=1S/C37H41NO5Si/c1-44(2,30-21-13-6-14-22-30)36-32-35(43-25-29-19-11-5-12-20-29)34(42-24-28-17-9-4-10-18-28)31(38(32)37(40)33(36)39)26-41-23-27-15-7-3-8-16-27/h3-22,31-36,39H,23-26H2,1-2H3/t31-,32+,33-,34-,35-,36+/m1/s1
InChIKeyCJOYAUVORKMTLN-BAKSPFSNSA-N
XLogP5.31
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.82
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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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
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)-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
(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
(2R,5R,6R,7R,8R)-2-hydroxy-7-(methoxymethoxy)-6-phenylmethoxy-5-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 11293261
(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
tert-butyl (2R,3R,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(3-oxobutyl)-3,4-bis(phenylmethoxy)pyrrolidine-1-carboxylate
CID 11320101

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[Si](C)(c1ccccc1)[C@H]1[C@@H]2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](COCc3ccccc3)N2C(=O)[C@@H]1O.
What is the InChIKey of (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?
The InChIKey is CJOYAUVORKMTLN-BAKSPFSNSA-N. The full InChI is InChI=1S/C37H41NO5Si/c1-44(2,30-21-13-6-14-22-30)36-32-35(43-25-29-19-11-5-12-20-29)34(42-24-28-17-9-4-10-18-28)31(38(32)37(40)33(36)39)26-41-23-27-15-7-3-8-16-27/h3-22,31-36,39H,23-26H2,1-2H3/t31-,32+,33-,34-,35-,36+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 607.82 g/mol, XLogP of 5.31, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 25223736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).