(2R)-4-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]butan-2-ol

C26H50O7Si — CID 23631119

IUPAC(2R)-4-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]butan-2-ol
SMILESCC1(C)O[C@@H]1CC[C@@]1(C)O[C@@H]1CC[C@@](C)(O)[C@@H]1CC[C@@H]([C@](C)(O)COCOCC[Si](C)(C)C)O1
InChIInChI=1S/C26H50O7Si/c1-23(2)19(32-23)12-14-26(5)22(33-26)11-13-24(3,27)20-9-10-21(31-20)25(4,28)17-30-18-29-15-16-34(6,7)8/h19-22,27-28H,9-18H2,1-8H3/t19-,20+,21+,22-,24-,25-,26-/m1/s1
InChIKeyOAEATLAASOGIGC-ZRQYGHIPSA-N
MW502.77 g/mol
LogP4.26
Rot. Bonds15

About (2R)-4-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]butan-2-ol

(2R)-4-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]butan-2-ol (PubChem CID 23631119) has the molecular formula C26H50O7Si and a molecular weight of 502.77 g/mol. Its IUPAC name is (2R)-4-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-4-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]butan-2-ol
PubChem CID23631119
Molecular FormulaC26H50O7Si
Molecular Weight502.77 g/mol
Exact Mass502.33
IUPAC Name(2R)-4-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]butan-2-ol
SMILESCC1(C)O[C@@H]1CC[C@@]1(C)O[C@@H]1CC[C@@](C)(O)[C@@H]1CC[C@@H]([C@](C)(O)COCOCC[Si](C)(C)C)O1
InChIInChI=1S/C26H50O7Si/c1-23(2)19(32-23)12-14-26(5)22(33-26)11-13-24(3,27)20-9-10-21(31-20)25(4,28)17-30-18-29-15-16-34(6,7)8/h19-22,27-28H,9-18H2,1-8H3/t19-,20+,21+,22-,24-,25-,26-/m1/s1
InChIKeyOAEATLAASOGIGC-ZRQYGHIPSA-N
XLogP4.26
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.77
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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)-4-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]butan-2-ol?
The IUPAC name of (2R)-4-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]butan-2-ol (CID 23631119) is (2R)-4-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]butan-2-ol.
What is the SMILES notation for (2R)-4-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]butan-2-ol?
The canonical SMILES for (2R)-4-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]butan-2-ol is CC1(C)O[C@@H]1CC[C@@]1(C)O[C@@H]1CC[C@@](C)(O)[C@@H]1CC[C@@H]([C@](C)(O)COCOCC[Si](C)(C)C)O1.
What is the InChIKey of (2R)-4-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]butan-2-ol?
The InChIKey is OAEATLAASOGIGC-ZRQYGHIPSA-N. The full InChI is InChI=1S/C26H50O7Si/c1-23(2)19(32-23)12-14-26(5)22(33-26)11-13-24(3,27)20-9-10-21(31-20)25(4,28)17-30-18-29-15-16-34(6,7)8/h19-22,27-28H,9-18H2,1-8H3/t19-,20+,21+,22-,24-,25-,26-/m1/s1.
What are the key properties of (2R)-4-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]butan-2-ol?
(2R)-4-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]butan-2-ol has a molecular weight of 502.77 g/mol, XLogP of 4.26, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]-2-[(2S,5S)-5-[(2R)-2-hydroxy-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxolan-2-yl]butan-2-ol is sourced from PubChem (CID 23631119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).