(2R)-2-[(2S,5S)-5-[(1R)-1-hydroxy-3-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]propyl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol

C28H54O8Si — CID 134883155

IUPAC(2R)-2-[(2S,5S)-5-[(1R)-1-hydroxy-3-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]propyl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol
SMILESCC1(C)O[C@H](CC[C@@]2(C)O[C@@H]2CC[C@@H](O)[C@@H]2CC[C@@H]([C@](C)(O)COCOCC[Si](C)(C)C)O2)C(C)(C)O1
InChIInChI=1S/C28H54O8Si/c1-25(2)22(34-26(3,4)36-25)14-15-28(6)24(35-28)12-10-20(29)21-11-13-23(33-21)27(5,30)18-32-19-31-16-17-37(7,8)9/h20-24,29-30H,10-19H2,1-9H3/t20-,21+,22-,23+,24-,27-,28-/m1/s1
InChIKeyIASSHXQOVWYRDM-KHCXIAESSA-N
MW546.82 g/mol
LogP4.62
Rot. Bonds15

About (2R)-2-[(2S,5S)-5-[(1R)-1-hydroxy-3-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]propyl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol

(2R)-2-[(2S,5S)-5-[(1R)-1-hydroxy-3-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]propyl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol (PubChem CID 134883155) has the molecular formula C28H54O8Si and a molecular weight of 546.82 g/mol. Its IUPAC name is (2R)-2-[(2S,5S)-5-[(1R)-1-hydroxy-3-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]propyl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-2-[(2S,5S)-5-[(1R)-1-hydroxy-3-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]propyl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol
PubChem CID134883155
Molecular FormulaC28H54O8Si
Molecular Weight546.82 g/mol
Exact Mass546.36
IUPAC Name(2R)-2-[(2S,5S)-5-[(1R)-1-hydroxy-3-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]propyl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol
SMILESCC1(C)O[C@H](CC[C@@]2(C)O[C@@H]2CC[C@@H](O)[C@@H]2CC[C@@H]([C@](C)(O)COCOCC[Si](C)(C)C)O2)C(C)(C)O1
InChIInChI=1S/C28H54O8Si/c1-25(2)22(34-26(3,4)36-25)14-15-28(6)24(35-28)12-10-20(29)21-11-13-23(33-21)27(5,30)18-32-19-31-16-17-37(7,8)9/h20-24,29-30H,10-19H2,1-9H3/t20-,21+,22-,23+,24-,27-,28-/m1/s1
InChIKeyIASSHXQOVWYRDM-KHCXIAESSA-N
XLogP4.62
TPSA99.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.82
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (2R)-2-[(2S,5S)-5-[(1R)-1-hydroxy-3-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]propyl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol?
The IUPAC name of (2R)-2-[(2S,5S)-5-[(1R)-1-hydroxy-3-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]propyl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol (CID 134883155) is (2R)-2-[(2S,5S)-5-[(1R)-1-hydroxy-3-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]propyl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol.
What is the SMILES notation for (2R)-2-[(2S,5S)-5-[(1R)-1-hydroxy-3-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]propyl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol?
The canonical SMILES for (2R)-2-[(2S,5S)-5-[(1R)-1-hydroxy-3-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]propyl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol is CC1(C)O[C@H](CC[C@@]2(C)O[C@@H]2CC[C@@H](O)[C@@H]2CC[C@@H]([C@](C)(O)COCOCC[Si](C)(C)C)O2)C(C)(C)O1.
What is the InChIKey of (2R)-2-[(2S,5S)-5-[(1R)-1-hydroxy-3-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]propyl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol?
The InChIKey is IASSHXQOVWYRDM-KHCXIAESSA-N. The full InChI is InChI=1S/C28H54O8Si/c1-25(2)22(34-26(3,4)36-25)14-15-28(6)24(35-28)12-10-20(29)21-11-13-23(33-21)27(5,30)18-32-19-31-16-17-37(7,8)9/h20-24,29-30H,10-19H2,1-9H3/t20-,21+,22-,23+,24-,27-,28-/m1/s1.
What are the key properties of (2R)-2-[(2S,5S)-5-[(1R)-1-hydroxy-3-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]propyl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol?
(2R)-2-[(2S,5S)-5-[(1R)-1-hydroxy-3-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]propyl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol has a molecular weight of 546.82 g/mol, XLogP of 4.62, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,5S)-5-[(1R)-1-hydroxy-3-[(2R,3R)-3-methyl-3-[2-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]ethyl]oxiran-2-yl]propyl]oxolan-2-yl]-1-(2-trimethylsilylethoxymethoxy)propan-2-ol is sourced from PubChem (CID 134883155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).