[(4S,5S)-5-[(2S,3S,6S)-3-azido-6-methoxyoxan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane

C28H39N3O5Si — CID 10007067

IUPAC[(4S,5S)-5-[(2S,3S,6S)-3-azido-6-methoxyoxan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane
SMILESCO[C@@H]1CC[C@H](N=[N+]=[N-])[C@@H]([C@@H]2OC(C)(C)O[C@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C28H39N3O5Si/c1-27(2,3)37(20-13-9-7-10-14-20,21-15-11-8-12-16-21)33-19-23-26(36-28(4,5)35-23)25-22(30-31-29)17-18-24(32-6)34-25/h7-16,22-26H,17-19H2,1-6H3/t22-,23-,24-,25-,26+/m0/s1
InChIKeyQEQKVXYZMXAJQH-WBAQKLHDSA-N
MW525.72 g/mol
LogP4.91
Rot. Bonds8

About [(4S,5S)-5-[(2S,3S,6S)-3-azido-6-methoxyoxan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane

[(4S,5S)-5-[(2S,3S,6S)-3-azido-6-methoxyoxan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 10007067) has the molecular formula C28H39N3O5Si and a molecular weight of 525.72 g/mol. Its IUPAC name is [(4S,5S)-5-[(2S,3S,6S)-3-azido-6-methoxyoxan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(4S,5S)-5-[(2S,3S,6S)-3-azido-6-methoxyoxan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID10007067
Molecular FormulaC28H39N3O5Si
Molecular Weight525.72 g/mol
Exact Mass525.27
IUPAC Name[(4S,5S)-5-[(2S,3S,6S)-3-azido-6-methoxyoxan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane
SMILESCO[C@@H]1CC[C@H](N=[N+]=[N-])[C@@H]([C@@H]2OC(C)(C)O[C@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C28H39N3O5Si/c1-27(2,3)37(20-13-9-7-10-14-20,21-15-11-8-12-16-21)33-19-23-26(36-28(4,5)35-23)25-22(30-31-29)17-18-24(32-6)34-25/h7-16,22-26H,17-19H2,1-6H3/t22-,23-,24-,25-,26+/m0/s1
InChIKeyQEQKVXYZMXAJQH-WBAQKLHDSA-N
XLogP4.91
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.72
LogP ≤ 54.91
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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Related Compounds

[(2R,3S,4S,5S)-3-azido-5-(dimethoxymethyl)-4-fluorooxolan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 172395990
[(2R,3S,4R,5S)-3-azido-5-(dimethoxymethyl)-4-fluorooxolan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 176302156
[(2S)-2-azido-2-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethoxy]-tert-butyl-diphenylsilane
CID 42597620
(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-1,3-dioxolan-4-yl]ethanamine
CID 42598099
3-[(4S,5R)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]propoxy-tert-butyl-diphenylsilane
CID 71514367
[(2R)-2-[(4R,5S,6S)-6-[(1R)-1-azidoethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane
CID 134845852
[(3aR,5S,6R,6aR)-6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 15858554
(3R,4R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 57712811
[(3R,4R,6S)-3,4-diacetyloxy-5-azido-6-[tert-butyl(diphenyl)silyl]oxyoxan-2-yl]methyl acetate
CID 57712837
[(3R,4R)-5-azido-3,4-dimethoxy-6-methyloxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 58678939
[(3aR,6S,7aR)-7-azido-2,2-dimethyl-6-methylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy-tert-butyl-diphenylsilane
CID 58679003
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol
CID 58679019

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-5-[(2S,3S,6S)-3-azido-6-methoxyoxan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(4S,5S)-5-[(2S,3S,6S)-3-azido-6-methoxyoxan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane (CID 10007067) is [(4S,5S)-5-[(2S,3S,6S)-3-azido-6-methoxyoxan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(4S,5S)-5-[(2S,3S,6S)-3-azido-6-methoxyoxan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(4S,5S)-5-[(2S,3S,6S)-3-azido-6-methoxyoxan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane is CO[C@@H]1CC[C@H](N=[N+]=[N-])[C@@H]([C@@H]2OC(C)(C)O[C@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of [(4S,5S)-5-[(2S,3S,6S)-3-azido-6-methoxyoxan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is QEQKVXYZMXAJQH-WBAQKLHDSA-N. The full InChI is InChI=1S/C28H39N3O5Si/c1-27(2,3)37(20-13-9-7-10-14-20,21-15-11-8-12-16-21)33-19-23-26(36-28(4,5)35-23)25-22(30-31-29)17-18-24(32-6)34-25/h7-16,22-26H,17-19H2,1-6H3/t22-,23-,24-,25-,26+/m0/s1.
What are the key properties of [(4S,5S)-5-[(2S,3S,6S)-3-azido-6-methoxyoxan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane?
[(4S,5S)-5-[(2S,3S,6S)-3-azido-6-methoxyoxan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 525.72 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-5-[(2S,3S,6S)-3-azido-6-methoxyoxan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 10007067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).