[(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate

C28H39N3O6Si — CID 20753336

IUPAC[(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N=[N+]=[N-])[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C28H39N3O6Si/c1-20(32)33-19-23-25(34-17-21-13-9-7-10-14-21)26(35-18-22-15-11-8-12-16-22)24(30-31-29)27(36-23)37-38(5,6)28(2,3)4/h7-16,23-27H,17-19H2,1-6H3/t23-,24-,25-,26-,27+/m1/s1
InChIKeyMNXWLCGBOXXBFI-ACFIUOAZSA-N
MW541.72 g/mol
LogP6.15
Rot. Bonds11

About [(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate

[(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate (PubChem CID 20753336) has the molecular formula C28H39N3O6Si and a molecular weight of 541.72 g/mol. Its IUPAC name is [(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate
PubChem CID20753336
Molecular FormulaC28H39N3O6Si
Molecular Weight541.72 g/mol
Exact Mass541.26
IUPAC Name[(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N=[N+]=[N-])[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C28H39N3O6Si/c1-20(32)33-19-23-25(34-17-21-13-9-7-10-14-21)26(35-18-22-15-11-8-12-16-22)24(30-31-29)27(36-23)37-38(5,6)28(2,3)4/h7-16,23-27H,17-19H2,1-6H3/t23-,24-,25-,26-,27+/m1/s1
InChIKeyMNXWLCGBOXXBFI-ACFIUOAZSA-N
XLogP6.15
TPSA111.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.72
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze [(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate 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,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate (CID 20753336) is [(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](N=[N+]=[N-])[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of [(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate?
The InChIKey is MNXWLCGBOXXBFI-ACFIUOAZSA-N. The full InChI is InChI=1S/C28H39N3O6Si/c1-20(32)33-19-23-25(34-17-21-13-9-7-10-14-21)26(35-18-22-15-11-8-12-16-22)24(30-31-29)27(36-23)37-38(5,6)28(2,3)4/h7-16,23-27H,17-19H2,1-6H3/t23-,24-,25-,26-,27+/m1/s1.
What are the key properties of [(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate?
[(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate has a molecular weight of 541.72 g/mol, XLogP of 6.15, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-3,4-bis(phenylmethoxy)oxan-2-yl]methyl acetate is sourced from PubChem (CID 20753336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).