[(2S,3S)-3-[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethoxy)-3-methylpentyl]oxiran-2-yl]methanol

C27H40O5Si — CID 134972367

IUPAC[(2S,3S)-3-[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethoxy)-3-methylpentyl]oxiran-2-yl]methanol
SMILESCOCO[C@H](C[C@@H]1O[C@H]1CO)[C@@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H40O5Si/c1-21(24(30-20-29-5)18-25-26(19-28)32-25)16-17-31-33(27(2,3)4,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,21,24-26,28H,16-20H2,1-5H3/t21-,24+,25-,26-/m0/s1
InChIKeyZPAQHJUOJTUJBC-QUKDMSEQSA-N
MW472.70 g/mol
LogP3.73
Rot. Bonds13

About [(2S,3S)-3-[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethoxy)-3-methylpentyl]oxiran-2-yl]methanol

[(2S,3S)-3-[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethoxy)-3-methylpentyl]oxiran-2-yl]methanol (PubChem CID 134972367) has the molecular formula C27H40O5Si and a molecular weight of 472.70 g/mol. Its IUPAC name is [(2S,3S)-3-[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethoxy)-3-methylpentyl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethoxy)-3-methylpentyl]oxiran-2-yl]methanol
PubChem CID134972367
Molecular FormulaC27H40O5Si
Molecular Weight472.70 g/mol
Exact Mass472.26
IUPAC Name[(2S,3S)-3-[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethoxy)-3-methylpentyl]oxiran-2-yl]methanol
SMILESCOCO[C@H](C[C@@H]1O[C@H]1CO)[C@@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H40O5Si/c1-21(24(30-20-29-5)18-25-26(19-28)32-25)16-17-31-33(27(2,3)4,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,21,24-26,28H,16-20H2,1-5H3/t21-,24+,25-,26-/m0/s1
InChIKeyZPAQHJUOJTUJBC-QUKDMSEQSA-N
XLogP3.73
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.70
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethoxy)-3-methylpentyl]oxiran-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethoxy)-3-methylpentyl]oxiran-2-yl]methanol (CID 134972367) is [(2S,3S)-3-[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethoxy)-3-methylpentyl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethoxy)-3-methylpentyl]oxiran-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethoxy)-3-methylpentyl]oxiran-2-yl]methanol is COCO[C@H](C[C@@H]1O[C@H]1CO)[C@@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(2S,3S)-3-[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethoxy)-3-methylpentyl]oxiran-2-yl]methanol?
The InChIKey is ZPAQHJUOJTUJBC-QUKDMSEQSA-N. The full InChI is InChI=1S/C27H40O5Si/c1-21(24(30-20-29-5)18-25-26(19-28)32-25)16-17-31-33(27(2,3)4,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,21,24-26,28H,16-20H2,1-5H3/t21-,24+,25-,26-/m0/s1.
What are the key properties of [(2S,3S)-3-[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethoxy)-3-methylpentyl]oxiran-2-yl]methanol?
[(2S,3S)-3-[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethoxy)-3-methylpentyl]oxiran-2-yl]methanol has a molecular weight of 472.70 g/mol, XLogP of 3.73, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-[(2R,3S)-5-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethoxy)-3-methylpentyl]oxiran-2-yl]methanol is sourced from PubChem (CID 134972367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).