(2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-3-phenylmethoxy-2,3-dihydropyran-6-one

C29H32O5Si — CID 102034930

IUPAC(2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-3-phenylmethoxy-2,3-dihydropyran-6-one
SMILESCC(C)(C)[Si](OC1=CC(=O)O[C@@H](CO)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H32O5Si/c1-29(2,3)35(23-15-9-5-10-16-23,24-17-11-6-12-18-24)34-25-19-27(31)33-26(20-30)28(25)32-21-22-13-7-4-8-14-22/h4-19,26,28,30H,20-21H2,1-3H3/t26-,28+/m0/s1
InChIKeyLREMCWWMQZAWAX-XTEPFMGCSA-N
MW488.66 g/mol
LogP3.95
Rot. Bonds8

About (2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-3-phenylmethoxy-2,3-dihydropyran-6-one

(2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-3-phenylmethoxy-2,3-dihydropyran-6-one (PubChem CID 102034930) has the molecular formula C29H32O5Si and a molecular weight of 488.66 g/mol. Its IUPAC name is (2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-3-phenylmethoxy-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-3-phenylmethoxy-2,3-dihydropyran-6-one
PubChem CID102034930
Molecular FormulaC29H32O5Si
Molecular Weight488.66 g/mol
Exact Mass488.20
IUPAC Name(2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-3-phenylmethoxy-2,3-dihydropyran-6-one
SMILESCC(C)(C)[Si](OC1=CC(=O)O[C@@H](CO)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H32O5Si/c1-29(2,3)35(23-15-9-5-10-16-23,24-17-11-6-12-18-24)34-25-19-27(31)33-26(20-30)28(25)32-21-22-13-7-4-8-14-22/h4-19,26,28,30H,20-21H2,1-3H3/t26-,28+/m0/s1
InChIKeyLREMCWWMQZAWAX-XTEPFMGCSA-N
XLogP3.95
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.66
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R,6R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-ol
CID 164669991
(3R,4R,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-3,4-bis(phenylmethoxy)oxan-2-one
CID 140966529
(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol
CID 171125092
(2R,3S,5Z)-3-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-3,4,7,8-tetrahydro-2H-oxonin-9-one
CID 24797076
(3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)-4-phenylmethoxyoxolan-3-ol
CID 102489458
(3S,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(phenylmethoxyamino)-3-propyloxolan-2-one
CID 11249365
(3R,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol
CID 171122175
(2R,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 177419468
(3R,4S)-4-tert-butyl-3-phenylmethoxyazetidin-2-one
CID 20735664
(3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-[(1S)-3-oxo-1-phenylmethoxybutyl]oxetan-2-one
CID 23726556
methyl (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxypropanoate
CID 44512548
tert-butyl (2R,3R,4R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-3,4-bis(phenylmethoxy)pyrrolidine-1-carboxylate
CID 11296899

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-3-phenylmethoxy-2,3-dihydropyran-6-one?
The IUPAC name of (2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-3-phenylmethoxy-2,3-dihydropyran-6-one (CID 102034930) is (2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-3-phenylmethoxy-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-3-phenylmethoxy-2,3-dihydropyran-6-one?
The canonical SMILES for (2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-3-phenylmethoxy-2,3-dihydropyran-6-one is CC(C)(C)[Si](OC1=CC(=O)O[C@@H](CO)[C@@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-3-phenylmethoxy-2,3-dihydropyran-6-one?
The InChIKey is LREMCWWMQZAWAX-XTEPFMGCSA-N. The full InChI is InChI=1S/C29H32O5Si/c1-29(2,3)35(23-15-9-5-10-16-23,24-17-11-6-12-18-24)34-25-19-27(31)33-26(20-30)28(25)32-21-22-13-7-4-8-14-22/h4-19,26,28,30H,20-21H2,1-3H3/t26-,28+/m0/s1.
What are the key properties of (2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-3-phenylmethoxy-2,3-dihydropyran-6-one?
(2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-3-phenylmethoxy-2,3-dihydropyran-6-one has a molecular weight of 488.66 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-3-phenylmethoxy-2,3-dihydropyran-6-one is sourced from PubChem (CID 102034930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).