(3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)-4-phenylmethoxyoxolan-3-ol

C29H36O5Si — CID 102489458

IUPAC(3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)-4-phenylmethoxyoxolan-3-ol
SMILESCC(C)(C)[Si](OC[C@H]1OC[C@](O)(CO)[C@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H36O5Si/c1-28(2,3)35(24-15-9-5-10-16-24,25-17-11-6-12-18-25)34-20-26-27(29(31,21-30)22-33-26)32-19-23-13-7-4-8-14-23/h4-18,26-27,30-31H,19-22H2,1-3H3/t26-,27+,29-/m1/s1
InChIKeyMSTMRVNKPDZTGR-IUAQSZDVSA-N
MW492.69 g/mol
LogP3.27
Rot. Bonds9

About (3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)-4-phenylmethoxyoxolan-3-ol

(3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)-4-phenylmethoxyoxolan-3-ol (PubChem CID 102489458) has the molecular formula C29H36O5Si and a molecular weight of 492.69 g/mol. Its IUPAC name is (3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)-4-phenylmethoxyoxolan-3-ol.

Molecular Properties

Compound Name(3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)-4-phenylmethoxyoxolan-3-ol
PubChem CID102489458
Molecular FormulaC29H36O5Si
Molecular Weight492.69 g/mol
Exact Mass492.23
IUPAC Name(3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)-4-phenylmethoxyoxolan-3-ol
SMILESCC(C)(C)[Si](OC[C@H]1OC[C@](O)(CO)[C@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H36O5Si/c1-28(2,3)35(24-15-9-5-10-16-24,25-17-11-6-12-18-25)34-20-26-27(29(31,21-30)22-33-26)32-19-23-13-7-4-8-14-23/h4-18,26-27,30-31H,19-22H2,1-3H3/t26-,27+,29-/m1/s1
InChIKeyMSTMRVNKPDZTGR-IUAQSZDVSA-N
XLogP3.27
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.69
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)-4-phenylmethoxyoxolan-3-ol?
The IUPAC name of (3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)-4-phenylmethoxyoxolan-3-ol (CID 102489458) is (3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)-4-phenylmethoxyoxolan-3-ol.
What is the SMILES notation for (3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)-4-phenylmethoxyoxolan-3-ol?
The canonical SMILES for (3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)-4-phenylmethoxyoxolan-3-ol is CC(C)(C)[Si](OC[C@H]1OC[C@](O)(CO)[C@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)-4-phenylmethoxyoxolan-3-ol?
The InChIKey is MSTMRVNKPDZTGR-IUAQSZDVSA-N. The full InChI is InChI=1S/C29H36O5Si/c1-28(2,3)35(24-15-9-5-10-16-24,25-17-11-6-12-18-25)34-20-26-27(29(31,21-30)22-33-26)32-19-23-13-7-4-8-14-23/h4-18,26-27,30-31H,19-22H2,1-3H3/t26-,27+,29-/m1/s1.
What are the key properties of (3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)-4-phenylmethoxyoxolan-3-ol?
(3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)-4-phenylmethoxyoxolan-3-ol has a molecular weight of 492.69 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)-4-phenylmethoxyoxolan-3-ol is sourced from PubChem (CID 102489458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).