methyl (2S,3R,4S)-3-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetane-2-carboxylate

C22H27N3O4Si — CID 23255904

IUPACmethyl (2S,3R,4S)-3-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetane-2-carboxylate
SMILESCOC(=O)[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C22H27N3O4Si/c1-22(2,3)30(16-11-7-5-8-12-16,17-13-9-6-10-14-17)28-15-18-19(24-25-23)20(29-18)21(26)27-4/h5-14,18-20H,15H2,1-4H3/t18-,19-,20+/m1/s1
InChIKeyVMSKIKMHCSQXMN-AQNXPRMDSA-N
MW425.56 g/mol
LogP3.18
Rot. Bonds7

About methyl (2S,3R,4S)-3-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetane-2-carboxylate

methyl (2S,3R,4S)-3-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetane-2-carboxylate (PubChem CID 23255904) has the molecular formula C22H27N3O4Si and a molecular weight of 425.56 g/mol. Its IUPAC name is methyl (2S,3R,4S)-3-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3R,4S)-3-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetane-2-carboxylate
PubChem CID23255904
Molecular FormulaC22H27N3O4Si
Molecular Weight425.56 g/mol
Exact Mass425.18
IUPAC Namemethyl (2S,3R,4S)-3-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetane-2-carboxylate
SMILESCOC(=O)[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1N=[N+]=[N-]
InChIInChI=1S/C22H27N3O4Si/c1-22(2,3)30(16-11-7-5-8-12-16,17-13-9-6-10-14-17)28-15-18-19(24-25-23)20(29-18)21(26)27-4/h5-14,18-20H,15H2,1-4H3/t18-,19-,20+/m1/s1
InChIKeyVMSKIKMHCSQXMN-AQNXPRMDSA-N
XLogP3.18
TPSA93.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 53.18
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

(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol
CID 58679019
(2R,3S,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxan-3-ol
CID 52918394
[(2S,3R,4S,5R,6S)-3,5-diazido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylsulfanyloxan-4-yl] benzoate
CID 71763861
[(3S,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxy-6-methylsulfanyloxan-4-yl] benzoate
CID 173486964
[(2R,3S,4R,5R)-5-azido-6-fluoro-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 11802442
[(2R,3R,4R,5R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2-chloroacetyl)oxy-6-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methoxy]oxan-3-yl] 2-chloroacetate
CID 101462066
(2R,3R,4R,5R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 102322669
(3S,5R)-3-azido-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
CID 11954841
methyl (2S,3S,4S,5R,6S)-5-acetyloxy-3-[(2R,3R,4R,5S,6R)-3-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(4-oxopentanoyloxy)-5-sulfooxyoxan-2-yl]oxy-6-methoxy-4-(2-trimethylsilylethoxymethoxy)oxane-2-carboxylate
CID 101373089
(3S,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-(naphthalen-2-ylmethoxy)oxan-4-ol
CID 70996996
(8R,8aS)-8-azido-2,7-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;(3S,4R)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyloxan-3-ol
CID 91112909
ethyl 5-azido-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,7-dioxabicyclo[2.2.1]heptane-1-carboxylate
CID 134831448

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R,4S)-3-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetane-2-carboxylate?
The IUPAC name of methyl (2S,3R,4S)-3-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetane-2-carboxylate (CID 23255904) is methyl (2S,3R,4S)-3-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetane-2-carboxylate.
What is the SMILES notation for methyl (2S,3R,4S)-3-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetane-2-carboxylate?
The canonical SMILES for methyl (2S,3R,4S)-3-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetane-2-carboxylate is COC(=O)[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1N=[N+]=[N-].
What is the InChIKey of methyl (2S,3R,4S)-3-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetane-2-carboxylate?
The InChIKey is VMSKIKMHCSQXMN-AQNXPRMDSA-N. The full InChI is InChI=1S/C22H27N3O4Si/c1-22(2,3)30(16-11-7-5-8-12-16,17-13-9-6-10-14-17)28-15-18-19(24-25-23)20(29-18)21(26)27-4/h5-14,18-20H,15H2,1-4H3/t18-,19-,20+/m1/s1.
What are the key properties of methyl (2S,3R,4S)-3-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetane-2-carboxylate?
methyl (2S,3R,4S)-3-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetane-2-carboxylate has a molecular weight of 425.56 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R,4S)-3-azido-4-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetane-2-carboxylate is sourced from PubChem (CID 23255904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).