(2R,3S,4S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxane-2-carbaldehyde

C36H60O5Si3 — CID 11763729

IUPAC(2R,3S,4S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@H](C=O)O[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C36H60O5Si3/c1-34(2,3)42(10,11)40-31-26-28(39-32(27-37)33(31)41-43(12,13)35(4,5)6)24-25-38-44(36(7,8)9,29-20-16-14-17-21-29)30-22-18-15-19-23-30/h14-23,27-28,31-33H,24-26H2,1-13H3/t28-,31+,32+,33-/m1/s1
InChIKeyPSMHBVBRYHNASX-KYXYXWHUSA-N
MW657.13 g/mol
LogP8.09
Rot. Bonds11

About (2R,3S,4S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxane-2-carbaldehyde

(2R,3S,4S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxane-2-carbaldehyde (PubChem CID 11763729) has the molecular formula C36H60O5Si3 and a molecular weight of 657.13 g/mol. Its IUPAC name is (2R,3S,4S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3S,4S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxane-2-carbaldehyde
PubChem CID11763729
Molecular FormulaC36H60O5Si3
Molecular Weight657.13 g/mol
Exact Mass656.37
IUPAC Name(2R,3S,4S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1[C@H](C=O)O[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C36H60O5Si3/c1-34(2,3)42(10,11)40-31-26-28(39-32(27-37)33(31)41-43(12,13)35(4,5)6)24-25-38-44(36(7,8)9,29-20-16-14-17-21-29)30-22-18-15-19-23-30/h14-23,27-28,31-33H,24-26H2,1-13H3/t28-,31+,32+,33-/m1/s1
InChIKeyPSMHBVBRYHNASX-KYXYXWHUSA-N
XLogP8.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.13
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,3S,4S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxane-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxane-2-carbaldehyde?
The IUPAC name of (2R,3S,4S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxane-2-carbaldehyde (CID 11763729) is (2R,3S,4S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxane-2-carbaldehyde.
What is the SMILES notation for (2R,3S,4S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxane-2-carbaldehyde?
The canonical SMILES for (2R,3S,4S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxane-2-carbaldehyde is CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C=O)O[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S,4S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxane-2-carbaldehyde?
The InChIKey is PSMHBVBRYHNASX-KYXYXWHUSA-N. The full InChI is InChI=1S/C36H60O5Si3/c1-34(2,3)42(10,11)40-31-26-28(39-32(27-37)33(31)41-43(12,13)35(4,5)6)24-25-38-44(36(7,8)9,29-20-16-14-17-21-29)30-22-18-15-19-23-30/h14-23,27-28,31-33H,24-26H2,1-13H3/t28-,31+,32+,33-/m1/s1.
What are the key properties of (2R,3S,4S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxane-2-carbaldehyde?
(2R,3S,4S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxane-2-carbaldehyde has a molecular weight of 657.13 g/mol, XLogP of 8.09, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxane-2-carbaldehyde is sourced from PubChem (CID 11763729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).