[(2R,3R,4R,5S)-6-azido-2,3,4,5-tetramethoxyhexoxy]-tert-butyl-diphenylsilane

C26H39N3O5Si — CID 16745164

IUPAC[(2R,3R,4R,5S)-6-azido-2,3,4,5-tetramethoxyhexoxy]-tert-butyl-diphenylsilane
SMILESCO[C@@H]([C@H](OC)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC)[C@H](CN=[N+]=[N-])OC
InChIInChI=1S/C26H39N3O5Si/c1-26(2,3)35(20-14-10-8-11-15-20,21-16-12-9-13-17-21)34-19-23(31-5)25(33-7)24(32-6)22(30-4)18-28-29-27/h8-17,22-25H,18-19H2,1-7H3/t22-,23+,24+,25+/m0/s1
InChIKeyHAOPRJZALUFDPM-ZYQDXHPFSA-N
MW501.70 g/mol
LogP3.93
Rot. Bonds14

About [(2R,3R,4R,5S)-6-azido-2,3,4,5-tetramethoxyhexoxy]-tert-butyl-diphenylsilane

[(2R,3R,4R,5S)-6-azido-2,3,4,5-tetramethoxyhexoxy]-tert-butyl-diphenylsilane (PubChem CID 16745164) has the molecular formula C26H39N3O5Si and a molecular weight of 501.70 g/mol. Its IUPAC name is [(2R,3R,4R,5S)-6-azido-2,3,4,5-tetramethoxyhexoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2R,3R,4R,5S)-6-azido-2,3,4,5-tetramethoxyhexoxy]-tert-butyl-diphenylsilane
PubChem CID16745164
Molecular FormulaC26H39N3O5Si
Molecular Weight501.70 g/mol
Exact Mass501.27
IUPAC Name[(2R,3R,4R,5S)-6-azido-2,3,4,5-tetramethoxyhexoxy]-tert-butyl-diphenylsilane
SMILESCO[C@@H]([C@H](OC)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC)[C@H](CN=[N+]=[N-])OC
InChIInChI=1S/C26H39N3O5Si/c1-26(2,3)35(20-14-10-8-11-15-20,21-16-12-9-13-17-21)34-19-23(31-5)25(33-7)24(32-6)22(30-4)18-28-29-27/h8-17,22-25H,18-19H2,1-7H3/t22-,23+,24+,25+/m0/s1
InChIKeyHAOPRJZALUFDPM-ZYQDXHPFSA-N
XLogP3.93
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.70
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5S)-6-azido-2,3,4,5-tetramethoxyhexoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(2R,3R,4R,5S)-6-azido-2,3,4,5-tetramethoxyhexoxy]-tert-butyl-diphenylsilane (CID 16745164) is [(2R,3R,4R,5S)-6-azido-2,3,4,5-tetramethoxyhexoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2R,3R,4R,5S)-6-azido-2,3,4,5-tetramethoxyhexoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(2R,3R,4R,5S)-6-azido-2,3,4,5-tetramethoxyhexoxy]-tert-butyl-diphenylsilane is CO[C@@H]([C@H](OC)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC)[C@H](CN=[N+]=[N-])OC.
What is the InChIKey of [(2R,3R,4R,5S)-6-azido-2,3,4,5-tetramethoxyhexoxy]-tert-butyl-diphenylsilane?
The InChIKey is HAOPRJZALUFDPM-ZYQDXHPFSA-N. The full InChI is InChI=1S/C26H39N3O5Si/c1-26(2,3)35(20-14-10-8-11-15-20,21-16-12-9-13-17-21)34-19-23(31-5)25(33-7)24(32-6)22(30-4)18-28-29-27/h8-17,22-25H,18-19H2,1-7H3/t22-,23+,24+,25+/m0/s1.
What are the key properties of [(2R,3R,4R,5S)-6-azido-2,3,4,5-tetramethoxyhexoxy]-tert-butyl-diphenylsilane?
[(2R,3R,4R,5S)-6-azido-2,3,4,5-tetramethoxyhexoxy]-tert-butyl-diphenylsilane has a molecular weight of 501.70 g/mol, XLogP of 3.93, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5S)-6-azido-2,3,4,5-tetramethoxyhexoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 16745164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).