tert-butyl 2-[(2S,3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxyacetate

C33H50O8Si — CID 134835643

IUPACtert-butyl 2-[(2S,3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxyacetate
SMILESCO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCC(=O)OC(C)(C)C
InChIInChI=1S/C33H50O8Si/c1-32(2,3)41-27(34)23-38-30-29(37-21-25-18-14-11-15-19-25)28(36-20-24-16-12-10-13-17-24)26(40-31(30)35-7)22-39-42(8,9)33(4,5)6/h10-19,26,28-31H,20-23H2,1-9H3/t26-,28-,29+,30-,31+/m1/s1
InChIKeyVDSXOYCMWRXVMA-VYYBUWSNSA-N
MW602.84 g/mol
LogP6.28
Rot. Bonds13

About tert-butyl 2-[(2S,3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxyacetate

tert-butyl 2-[(2S,3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxyacetate (PubChem CID 134835643) has the molecular formula C33H50O8Si and a molecular weight of 602.84 g/mol. Its IUPAC name is tert-butyl 2-[(2S,3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxyacetate.

Molecular Properties

Compound Nametert-butyl 2-[(2S,3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxyacetate
PubChem CID134835643
Molecular FormulaC33H50O8Si
Molecular Weight602.84 g/mol
Exact Mass602.33
IUPAC Nametert-butyl 2-[(2S,3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxyacetate
SMILESCO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCC(=O)OC(C)(C)C
InChIInChI=1S/C33H50O8Si/c1-32(2,3)41-27(34)23-38-30-29(37-21-25-18-14-11-15-19-25)28(36-20-24-16-12-10-13-17-24)26(40-31(30)35-7)22-39-42(8,9)33(4,5)6/h10-19,26,28-31H,20-23H2,1-9H3/t26-,28-,29+,30-,31+/m1/s1
InChIKeyVDSXOYCMWRXVMA-VYYBUWSNSA-N
XLogP6.28
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.84
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[(2S,3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxyacetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2S,3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxyacetate?
The IUPAC name of tert-butyl 2-[(2S,3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxyacetate (CID 134835643) is tert-butyl 2-[(2S,3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxyacetate.
What is the SMILES notation for tert-butyl 2-[(2S,3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxyacetate?
The canonical SMILES for tert-butyl 2-[(2S,3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxyacetate is CO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(2S,3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxyacetate?
The InChIKey is VDSXOYCMWRXVMA-VYYBUWSNSA-N. The full InChI is InChI=1S/C33H50O8Si/c1-32(2,3)41-27(34)23-38-30-29(37-21-25-18-14-11-15-19-25)28(36-20-24-16-12-10-13-17-24)26(40-31(30)35-7)22-39-42(8,9)33(4,5)6/h10-19,26,28-31H,20-23H2,1-9H3/t26-,28-,29+,30-,31+/m1/s1.
What are the key properties of tert-butyl 2-[(2S,3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxyacetate?
tert-butyl 2-[(2S,3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxyacetate has a molecular weight of 602.84 g/mol, XLogP of 6.28, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2S,3R,4S,5R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methoxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxyacetate is sourced from PubChem (CID 134835643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).