(2S,5S,6S)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxyethyl]-2-ethenyl-5-methoxyoxan-2-ol

C33H42O5Si — CID 11410205

IUPAC(2S,5S,6S)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxyethyl]-2-ethenyl-5-methoxyoxan-2-ol
SMILESC=C[C@]1(O)CC[C@H](OC)[C@@H]([C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCc2ccccc2)O1
InChIInChI=1S/C33H42O5Si/c1-6-33(34)23-22-29(35-5)31(38-33)30(36-24-26-16-10-7-11-17-26)25-37-39(32(2,3)4,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h6-21,29-31,34H,1,22-25H2,2-5H3/t29-,30+,31-,33+/m0/s1
InChIKeyOKECSITVOOGTCM-DVQSUWLUSA-N
MW546.78 g/mol
LogP5.22
Rot. Bonds11

About (2S,5S,6S)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxyethyl]-2-ethenyl-5-methoxyoxan-2-ol

(2S,5S,6S)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxyethyl]-2-ethenyl-5-methoxyoxan-2-ol (PubChem CID 11410205) has the molecular formula C33H42O5Si and a molecular weight of 546.78 g/mol. Its IUPAC name is (2S,5S,6S)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxyethyl]-2-ethenyl-5-methoxyoxan-2-ol.

Molecular Properties

Compound Name(2S,5S,6S)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxyethyl]-2-ethenyl-5-methoxyoxan-2-ol
PubChem CID11410205
Molecular FormulaC33H42O5Si
Molecular Weight546.78 g/mol
Exact Mass546.28
IUPAC Name(2S,5S,6S)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxyethyl]-2-ethenyl-5-methoxyoxan-2-ol
SMILESC=C[C@]1(O)CC[C@H](OC)[C@@H]([C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCc2ccccc2)O1
InChIInChI=1S/C33H42O5Si/c1-6-33(34)23-22-29(35-5)31(38-33)30(36-24-26-16-10-7-11-17-26)25-37-39(32(2,3)4,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h6-21,29-31,34H,1,22-25H2,2-5H3/t29-,30+,31-,33+/m0/s1
InChIKeyOKECSITVOOGTCM-DVQSUWLUSA-N
XLogP5.22
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.78
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,5S,6S)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxyethyl]-2-ethenyl-5-methoxyoxan-2-ol?
The IUPAC name of (2S,5S,6S)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxyethyl]-2-ethenyl-5-methoxyoxan-2-ol (CID 11410205) is (2S,5S,6S)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxyethyl]-2-ethenyl-5-methoxyoxan-2-ol.
What is the SMILES notation for (2S,5S,6S)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxyethyl]-2-ethenyl-5-methoxyoxan-2-ol?
The canonical SMILES for (2S,5S,6S)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxyethyl]-2-ethenyl-5-methoxyoxan-2-ol is C=C[C@]1(O)CC[C@H](OC)[C@@H]([C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OCc2ccccc2)O1.
What is the InChIKey of (2S,5S,6S)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxyethyl]-2-ethenyl-5-methoxyoxan-2-ol?
The InChIKey is OKECSITVOOGTCM-DVQSUWLUSA-N. The full InChI is InChI=1S/C33H42O5Si/c1-6-33(34)23-22-29(35-5)31(38-33)30(36-24-26-16-10-7-11-17-26)25-37-39(32(2,3)4,27-18-12-8-13-19-27)28-20-14-9-15-21-28/h6-21,29-31,34H,1,22-25H2,2-5H3/t29-,30+,31-,33+/m0/s1.
What are the key properties of (2S,5S,6S)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxyethyl]-2-ethenyl-5-methoxyoxan-2-ol?
(2S,5S,6S)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxyethyl]-2-ethenyl-5-methoxyoxan-2-ol has a molecular weight of 546.78 g/mol, XLogP of 5.22, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S,6S)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylmethoxyethyl]-2-ethenyl-5-methoxyoxan-2-ol is sourced from PubChem (CID 11410205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).