[(2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methyl-4-[(2R)-oxiran-2-yl]butan-2-yl] acetate

C31H48O6Si2 — CID 10008269

IUPAC[(2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methyl-4-[(2R)-oxiran-2-yl]butan-2-yl] acetate
SMILESCC(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@](C)(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](O)[C@H]1CO1
InChIInChI=1S/C31H48O6Si2/c1-23(32)36-27(22-35-38(9,10)29(2,3)4)31(8,28(33)26-21-34-26)37-39(30(5,6)7,24-17-13-11-14-18-24)25-19-15-12-16-20-25/h11-20,26-28,33H,21-22H2,1-10H3/t26-,27-,28+,31+/m1/s1
InChIKeyDDCBBHKZKFGOFJ-IEVQEWPMSA-N
MW572.89 g/mol
LogP5.03
Rot. Bonds11

About [(2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methyl-4-[(2R)-oxiran-2-yl]butan-2-yl] acetate

[(2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methyl-4-[(2R)-oxiran-2-yl]butan-2-yl] acetate (PubChem CID 10008269) has the molecular formula C31H48O6Si2 and a molecular weight of 572.89 g/mol. Its IUPAC name is [(2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methyl-4-[(2R)-oxiran-2-yl]butan-2-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methyl-4-[(2R)-oxiran-2-yl]butan-2-yl] acetate
PubChem CID10008269
Molecular FormulaC31H48O6Si2
Molecular Weight572.89 g/mol
Exact Mass572.30
IUPAC Name[(2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methyl-4-[(2R)-oxiran-2-yl]butan-2-yl] acetate
SMILESCC(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@](C)(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](O)[C@H]1CO1
InChIInChI=1S/C31H48O6Si2/c1-23(32)36-27(22-35-38(9,10)29(2,3)4)31(8,28(33)26-21-34-26)37-39(30(5,6)7,24-17-13-11-14-18-24)25-19-15-12-16-20-25/h11-20,26-28,33H,21-22H2,1-10H3/t26-,27-,28+,31+/m1/s1
InChIKeyDDCBBHKZKFGOFJ-IEVQEWPMSA-N
XLogP5.03
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.89
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-[(2R)-oxiran-2-yl]butane-1,3-diol
CID 10369738
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
[(2S,3S)-3-acetyloxy-1-[tert-butyl(diphenyl)silyl]oxy-4-oxopentan-2-yl] acetate
CID 10072767
[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-[tert-butyl(diphenyl)silyl]-3-methylhexa-3,4-dien-2-yl] acetate
CID 10052471
4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
CID 155658327
(Z,2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxy-2,5-dimethylhex-4-en-3-ol
CID 11598732
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
[(1R)-1-[(2S,3aR,5R,6aR)-5-[(1R)-1-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethyl] acetate
CID 102182234
6-[1-[tert-butyl(diphenyl)silyl]oxyethyl]oxan-3-ol
CID 140747666
(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(5R)-3-prop-1-en-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
CID 101079089
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(5S)-3-prop-1-en-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
CID 101079090

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methyl-4-[(2R)-oxiran-2-yl]butan-2-yl] acetate?
The IUPAC name of [(2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methyl-4-[(2R)-oxiran-2-yl]butan-2-yl] acetate (CID 10008269) is [(2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methyl-4-[(2R)-oxiran-2-yl]butan-2-yl] acetate.
What is the SMILES notation for [(2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methyl-4-[(2R)-oxiran-2-yl]butan-2-yl] acetate?
The canonical SMILES for [(2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methyl-4-[(2R)-oxiran-2-yl]butan-2-yl] acetate is CC(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@](C)(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](O)[C@H]1CO1.
What is the InChIKey of [(2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methyl-4-[(2R)-oxiran-2-yl]butan-2-yl] acetate?
The InChIKey is DDCBBHKZKFGOFJ-IEVQEWPMSA-N. The full InChI is InChI=1S/C31H48O6Si2/c1-23(32)36-27(22-35-38(9,10)29(2,3)4)31(8,28(33)26-21-34-26)37-39(30(5,6)7,24-17-13-11-14-18-24)25-19-15-12-16-20-25/h11-20,26-28,33H,21-22H2,1-10H3/t26-,27-,28+,31+/m1/s1.
What are the key properties of [(2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methyl-4-[(2R)-oxiran-2-yl]butan-2-yl] acetate?
[(2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methyl-4-[(2R)-oxiran-2-yl]butan-2-yl] acetate has a molecular weight of 572.89 g/mol, XLogP of 5.03, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-3-methyl-4-[(2R)-oxiran-2-yl]butan-2-yl] acetate is sourced from PubChem (CID 10008269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).