(3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(phenylmethoxyamino)-3-propyloxolan-2-one

C31H39NO4Si — CID 11249365

IUPAC(3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(phenylmethoxyamino)-3-propyloxolan-2-one
SMILESCCC[C@@H]1C(=O)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1NOCc1ccccc1
InChIInChI=1S/C31H39NO4Si/c1-5-15-27-29(32-34-22-24-16-9-6-10-17-24)28(36-30(27)33)23-35-37(31(2,3)4,25-18-11-7-12-19-25)26-20-13-8-14-21-26/h6-14,16-21,27-29,32H,5,15,22-23H2,1-4H3/t27-,28+,29-/m0/s1
InChIKeyBOHOQJCRFZKLDH-NHKHRBQYSA-N
MW517.74 g/mol
LogP4.99
Rot. Bonds11

About (3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(phenylmethoxyamino)-3-propyloxolan-2-one

(3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(phenylmethoxyamino)-3-propyloxolan-2-one (PubChem CID 11249365) has the molecular formula C31H39NO4Si and a molecular weight of 517.74 g/mol. Its IUPAC name is (3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(phenylmethoxyamino)-3-propyloxolan-2-one.

Molecular Properties

Compound Name(3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(phenylmethoxyamino)-3-propyloxolan-2-one
PubChem CID11249365
Molecular FormulaC31H39NO4Si
Molecular Weight517.74 g/mol
Exact Mass517.26
IUPAC Name(3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(phenylmethoxyamino)-3-propyloxolan-2-one
SMILESCCC[C@@H]1C(=O)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1NOCc1ccccc1
InChIInChI=1S/C31H39NO4Si/c1-5-15-27-29(32-34-22-24-16-9-6-10-17-24)28(36-30(27)33)23-35-37(31(2,3)4,25-18-11-7-12-19-25)26-20-13-8-14-21-26/h6-14,16-21,27-29,32H,5,15,22-23H2,1-4H3/t27-,28+,29-/m0/s1
InChIKeyBOHOQJCRFZKLDH-NHKHRBQYSA-N
XLogP4.99
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.74
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(phenylmethoxyamino)-3-propyloxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-one
CID 140966529
(3R,4R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-4-methyloxolan-2-one
CID 11731767
(1R,4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-one
CID 11035946
(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol
CID 171125092
(4S,5S)-4-[(Z)-but-1-enyl]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-one
CID 11811682
[(2S,3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-iodo-4,5-bis(phenylmethoxy)oxan-2-yl] acetate
CID 101363384
(4S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxan-2-one
CID 163054050
tert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane
CID 142503970
tert-butyl-diphenyl-[[(2R,3S,5R)-5-phenyl-3-phenylmethoxyoxolan-2-yl]methoxy]silane
CID 102482306
(2R,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 177419468
(3S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 71234875
(2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-3-phenylmethoxy-2,3-dihydropyran-6-one
CID 102034930

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(phenylmethoxyamino)-3-propyloxolan-2-one?
The IUPAC name of (3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(phenylmethoxyamino)-3-propyloxolan-2-one (CID 11249365) is (3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(phenylmethoxyamino)-3-propyloxolan-2-one.
What is the SMILES notation for (3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(phenylmethoxyamino)-3-propyloxolan-2-one?
The canonical SMILES for (3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(phenylmethoxyamino)-3-propyloxolan-2-one is CCC[C@@H]1C(=O)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1NOCc1ccccc1.
What is the InChIKey of (3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(phenylmethoxyamino)-3-propyloxolan-2-one?
The InChIKey is BOHOQJCRFZKLDH-NHKHRBQYSA-N. The full InChI is InChI=1S/C31H39NO4Si/c1-5-15-27-29(32-34-22-24-16-9-6-10-17-24)28(36-30(27)33)23-35-37(31(2,3)4,25-18-11-7-12-19-25)26-20-13-8-14-21-26/h6-14,16-21,27-29,32H,5,15,22-23H2,1-4H3/t27-,28+,29-/m0/s1.
What are the key properties of (3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(phenylmethoxyamino)-3-propyloxolan-2-one?
(3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(phenylmethoxyamino)-3-propyloxolan-2-one has a molecular weight of 517.74 g/mol, XLogP of 4.99, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(phenylmethoxyamino)-3-propyloxolan-2-one is sourced from PubChem (CID 11249365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).