[(2R,3S,4S,6S)-4-azido-6-methoxy-3-(2-methoxyethoxymethoxy)oxan-2-yl]methoxy-tert-butyl-diphenylsilane

C27H39N3O6Si — CID 101371344

IUPAC[(2R,3S,4S,6S)-4-azido-6-methoxy-3-(2-methoxyethoxymethoxy)oxan-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCOCCOCO[C@H]1[C@@H](N=[N+]=[N-])C[C@@H](OC)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H39N3O6Si/c1-27(2,3)37(21-12-8-6-9-13-21,22-14-10-7-11-15-22)35-19-24-26(34-20-33-17-16-31-4)23(29-30-28)18-25(32-5)36-24/h6-15,23-26H,16-20H2,1-5H3/t23-,24+,25-,26-/m0/s1
InChIKeyBHKFIELIGNFPPX-QYOOZWMWSA-N
MW529.71 g/mol
LogP4.01
Rot. Bonds13

About [(2R,3S,4S,6S)-4-azido-6-methoxy-3-(2-methoxyethoxymethoxy)oxan-2-yl]methoxy-tert-butyl-diphenylsilane

[(2R,3S,4S,6S)-4-azido-6-methoxy-3-(2-methoxyethoxymethoxy)oxan-2-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 101371344) has the molecular formula C27H39N3O6Si and a molecular weight of 529.71 g/mol. Its IUPAC name is [(2R,3S,4S,6S)-4-azido-6-methoxy-3-(2-methoxyethoxymethoxy)oxan-2-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2R,3S,4S,6S)-4-azido-6-methoxy-3-(2-methoxyethoxymethoxy)oxan-2-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID101371344
Molecular FormulaC27H39N3O6Si
Molecular Weight529.71 g/mol
Exact Mass529.26
IUPAC Name[(2R,3S,4S,6S)-4-azido-6-methoxy-3-(2-methoxyethoxymethoxy)oxan-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCOCCOCO[C@H]1[C@@H](N=[N+]=[N-])C[C@@H](OC)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H39N3O6Si/c1-27(2,3)37(21-12-8-6-9-13-21,22-14-10-7-11-15-22)35-19-24-26(34-20-33-17-16-31-4)23(29-30-28)18-25(32-5)36-24/h6-15,23-26H,16-20H2,1-5H3/t23-,24+,25-,26-/m0/s1
InChIKeyBHKFIELIGNFPPX-QYOOZWMWSA-N
XLogP4.01
TPSA104.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.71
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4S,5S,6R)-2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxane-3,4,5-triol
CID 139255092
(2R,3S,4R,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(dimethoxymethyl)-4-fluorooxolan-3-amine
CID 172232385
[(2R,3S,4S,5S)-3-azido-5-(dimethoxymethyl)-4-fluorooxolan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 172395990
(2R,3S,4S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(dimethoxymethyl)-4-fluorooxolan-3-amine
CID 172396000
[(2R,3S,4R,5S)-3-azido-5-(dimethoxymethyl)-4-fluorooxolan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 176302156
[(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)hexoxy]-tert-butyl-diphenylsilane
CID 11656197
[(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
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
Whlhcdsluaaptj-acfiuoazsa-
CID 50937055
[(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-ethyl-4-methyloxan-3-ol
CID 57712764

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,6S)-4-azido-6-methoxy-3-(2-methoxyethoxymethoxy)oxan-2-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(2R,3S,4S,6S)-4-azido-6-methoxy-3-(2-methoxyethoxymethoxy)oxan-2-yl]methoxy-tert-butyl-diphenylsilane (CID 101371344) is [(2R,3S,4S,6S)-4-azido-6-methoxy-3-(2-methoxyethoxymethoxy)oxan-2-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2R,3S,4S,6S)-4-azido-6-methoxy-3-(2-methoxyethoxymethoxy)oxan-2-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(2R,3S,4S,6S)-4-azido-6-methoxy-3-(2-methoxyethoxymethoxy)oxan-2-yl]methoxy-tert-butyl-diphenylsilane is COCCOCO[C@H]1[C@@H](N=[N+]=[N-])C[C@@H](OC)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(2R,3S,4S,6S)-4-azido-6-methoxy-3-(2-methoxyethoxymethoxy)oxan-2-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is BHKFIELIGNFPPX-QYOOZWMWSA-N. The full InChI is InChI=1S/C27H39N3O6Si/c1-27(2,3)37(21-12-8-6-9-13-21,22-14-10-7-11-15-22)35-19-24-26(34-20-33-17-16-31-4)23(29-30-28)18-25(32-5)36-24/h6-15,23-26H,16-20H2,1-5H3/t23-,24+,25-,26-/m0/s1.
What are the key properties of [(2R,3S,4S,6S)-4-azido-6-methoxy-3-(2-methoxyethoxymethoxy)oxan-2-yl]methoxy-tert-butyl-diphenylsilane?
[(2R,3S,4S,6S)-4-azido-6-methoxy-3-(2-methoxyethoxymethoxy)oxan-2-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 529.71 g/mol, XLogP of 4.01, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,6S)-4-azido-6-methoxy-3-(2-methoxyethoxymethoxy)oxan-2-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 101371344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).