[(3R,4R)-5-azido-3,4-dimethoxy-6-methyloxan-2-yl]methoxy-tert-butyl-diphenylsilane

C25H35N3O4Si — CID 58678939

IUPAC[(3R,4R)-5-azido-3,4-dimethoxy-6-methyloxan-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCO[C@@H]1C(N=[N+]=[N-])C(C)OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1OC
InChIInChI=1S/C25H35N3O4Si/c1-18-22(27-28-26)24(30-6)23(29-5)21(32-18)17-31-33(25(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-24H,17H2,1-6H3/t18?,21?,22?,23-,24+/m0/s1
InChIKeyFCCPOCAMHYHMOA-HWDWMWTCSA-N
MW469.66 g/mol
LogP4.06
Rot. Bonds8

About [(3R,4R)-5-azido-3,4-dimethoxy-6-methyloxan-2-yl]methoxy-tert-butyl-diphenylsilane

[(3R,4R)-5-azido-3,4-dimethoxy-6-methyloxan-2-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 58678939) has the molecular formula C25H35N3O4Si and a molecular weight of 469.66 g/mol. Its IUPAC name is [(3R,4R)-5-azido-3,4-dimethoxy-6-methyloxan-2-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(3R,4R)-5-azido-3,4-dimethoxy-6-methyloxan-2-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID58678939
Molecular FormulaC25H35N3O4Si
Molecular Weight469.66 g/mol
Exact Mass469.24
IUPAC Name[(3R,4R)-5-azido-3,4-dimethoxy-6-methyloxan-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCO[C@@H]1C(N=[N+]=[N-])C(C)OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1OC
InChIInChI=1S/C25H35N3O4Si/c1-18-22(27-28-26)24(30-6)23(29-5)21(32-18)17-31-33(25(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-24H,17H2,1-6H3/t18?,21?,22?,23-,24+/m0/s1
InChIKeyFCCPOCAMHYHMOA-HWDWMWTCSA-N
XLogP4.06
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.66
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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,4R,5R,6R)-5-azido-3,4-dimethoxy-2-(methoxymethyl)-6-phenylselanyloxane
CID 10861980
[(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,3S,4R,5R,6S)-5-azido-3,4-dimethoxy-2-(methoxymethyl)-6-phenylselanyloxane
CID 134895099
(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,4S,5R)-4-azido-5-[(2S)-butan-2-yl]oxolan-3-yl]oxy-tert-butyl-diphenylsilane
CID 58247469
(3S,4R,6S)-5-azido-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-6-methylsulfanyloxan-3-ol
CID 58678948
(3R,4R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxane-3,4-diol
CID 58678972
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol
CID 58679019
[(3R,4R)-5-azido-3-methoxy-4-phenylmethoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 59343837
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxy-3-methoxyoxan-4-ol
CID 59765608

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-5-azido-3,4-dimethoxy-6-methyloxan-2-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(3R,4R)-5-azido-3,4-dimethoxy-6-methyloxan-2-yl]methoxy-tert-butyl-diphenylsilane (CID 58678939) is [(3R,4R)-5-azido-3,4-dimethoxy-6-methyloxan-2-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(3R,4R)-5-azido-3,4-dimethoxy-6-methyloxan-2-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(3R,4R)-5-azido-3,4-dimethoxy-6-methyloxan-2-yl]methoxy-tert-butyl-diphenylsilane is CO[C@@H]1C(N=[N+]=[N-])C(C)OC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1OC.
What is the InChIKey of [(3R,4R)-5-azido-3,4-dimethoxy-6-methyloxan-2-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is FCCPOCAMHYHMOA-HWDWMWTCSA-N. The full InChI is InChI=1S/C25H35N3O4Si/c1-18-22(27-28-26)24(30-6)23(29-5)21(32-18)17-31-33(25(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-24H,17H2,1-6H3/t18?,21?,22?,23-,24+/m0/s1.
What are the key properties of [(3R,4R)-5-azido-3,4-dimethoxy-6-methyloxan-2-yl]methoxy-tert-butyl-diphenylsilane?
[(3R,4R)-5-azido-3,4-dimethoxy-6-methyloxan-2-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 469.66 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-5-azido-3,4-dimethoxy-6-methyloxan-2-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 58678939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).