methyl (2R,3R,4S,5S)-2-azido-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolane-2-carboxylate

C19H39N3O5Si2 — CID 100984961

IUPACmethyl (2R,3R,4S,5S)-2-azido-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolane-2-carboxylate
SMILESCOC(=O)[C@]1(N=[N+]=[N-])O[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H39N3O5Si2/c1-13-14(26-28(9,10)17(2,3)4)15(27-29(11,12)18(5,6)7)19(25-13,21-22-20)16(23)24-8/h13-15H,1-12H3/t13-,14-,15+,19+/m0/s1
InChIKeyMPLPZBVGURGPEM-XTDOFWJNSA-N
MW445.71 g/mol
LogP5.37
Rot. Bonds6

About methyl (2R,3R,4S,5S)-2-azido-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolane-2-carboxylate

methyl (2R,3R,4S,5S)-2-azido-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolane-2-carboxylate (PubChem CID 100984961) has the molecular formula C19H39N3O5Si2 and a molecular weight of 445.71 g/mol. Its IUPAC name is methyl (2R,3R,4S,5S)-2-azido-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3R,4S,5S)-2-azido-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolane-2-carboxylate
PubChem CID100984961
Molecular FormulaC19H39N3O5Si2
Molecular Weight445.71 g/mol
Exact Mass445.24
IUPAC Namemethyl (2R,3R,4S,5S)-2-azido-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolane-2-carboxylate
SMILESCOC(=O)[C@]1(N=[N+]=[N-])O[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H39N3O5Si2/c1-13-14(26-28(9,10)17(2,3)4)15(27-29(11,12)18(5,6)7)19(25-13,21-22-20)16(23)24-8/h13-15H,1-12H3/t13-,14-,15+,19+/m0/s1
InChIKeyMPLPZBVGURGPEM-XTDOFWJNSA-N
XLogP5.37
TPSA102.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.71
LogP ≤ 55.37
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

methyl (2S,3S,4R,5R)-2-azido-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carboxylate
CID 100984962
methyl (1S,2S,3R,4R,5R)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylate
CID 102474541
methyl (2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-azidooxane-2-carboxylate
CID 102215688
methyl (2S,4S,5R)-2,3-diazido-6-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4,5-dimethyloxane-2-carboxylate
CID 174110451
methyl (2S,3R,4S,5S,6R)-2-azido-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxylate
CID 11694592
methyl (2S,4S,5R)-5-acetamido-2,3-diazido-6-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-methyloxane-2-carboxylate
CID 174110466
methyl (2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(carbamoylamino)oxolane-2-carboxylate
CID 10864888
(1R,2R,3S,4R,5R)-4-azido-3-[tert-butyl(dimethyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
CID 101437067
[(2S,3R,4S,5R,6R)-5-acetyloxy-6-azido-4-[tert-butyl(dimethyl)silyl]oxy-2-[[4-[[(2S,3R,4S,5R,6R)-3,5-diacetyloxy-6-azido-4-[tert-butyl(dimethyl)silyl]oxyoxane-2-carbonyl]amino]phenyl]carbamoyl]oxan-3-yl] acetate
CID 11445909
cis-methyl (3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-hydroxy-4-methylidenecyclohexane-1-carboxylate
CID 91867254
methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpyrrolidin-1-ide-2-carboxylate
CID 91868283
[(2R,3R,4R,5S,6R)-4-azido-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-(2,2,2-trichloroethanimidoyl)oxyoxan-3-yl] acetate
CID 14081765

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R,4S,5S)-2-azido-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolane-2-carboxylate?
The IUPAC name of methyl (2R,3R,4S,5S)-2-azido-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolane-2-carboxylate (CID 100984961) is methyl (2R,3R,4S,5S)-2-azido-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolane-2-carboxylate.
What is the SMILES notation for methyl (2R,3R,4S,5S)-2-azido-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolane-2-carboxylate?
The canonical SMILES for methyl (2R,3R,4S,5S)-2-azido-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolane-2-carboxylate is COC(=O)[C@]1(N=[N+]=[N-])O[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2R,3R,4S,5S)-2-azido-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolane-2-carboxylate?
The InChIKey is MPLPZBVGURGPEM-XTDOFWJNSA-N. The full InChI is InChI=1S/C19H39N3O5Si2/c1-13-14(26-28(9,10)17(2,3)4)15(27-29(11,12)18(5,6)7)19(25-13,21-22-20)16(23)24-8/h13-15H,1-12H3/t13-,14-,15+,19+/m0/s1.
What are the key properties of methyl (2R,3R,4S,5S)-2-azido-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolane-2-carboxylate?
methyl (2R,3R,4S,5S)-2-azido-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolane-2-carboxylate has a molecular weight of 445.71 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R,4S,5S)-2-azido-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolane-2-carboxylate is sourced from PubChem (CID 100984961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).