methyl (1S,2S,3R,4R,5R)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylate

C20H41N3O6Si2 — CID 102474541

IUPACmethyl (1S,2S,3R,4R,5R)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylate
SMILESCOC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)C[C@@H](O)[C@H](O)[C@@H](N=[N+]=[N-])[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H41N3O6Si2/c1-18(2,3)30(8,9)28-16-14(22-23-21)15(25)13(24)12-20(16,17(26)27-7)29-31(10,11)19(4,5)6/h13-16,24-25H,12H2,1-11H3/t13-,14-,15+,16+,20+/m1/s1
InChIKeySCLDWSNKYCUODD-OJOVYZNWSA-N
MW475.74 g/mol
LogP4.11
Rot. Bonds6

About methyl (1S,2S,3R,4R,5R)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylate

methyl (1S,2S,3R,4R,5R)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylate (PubChem CID 102474541) has the molecular formula C20H41N3O6Si2 and a molecular weight of 475.74 g/mol. Its IUPAC name is methyl (1S,2S,3R,4R,5R)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2S,3R,4R,5R)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylate
PubChem CID102474541
Molecular FormulaC20H41N3O6Si2
Molecular Weight475.74 g/mol
Exact Mass475.25
IUPAC Namemethyl (1S,2S,3R,4R,5R)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylate
SMILESCOC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)C[C@@H](O)[C@H](O)[C@@H](N=[N+]=[N-])[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H41N3O6Si2/c1-18(2,3)30(8,9)28-16-14(22-23-21)15(25)13(24)12-20(16,17(26)27-7)29-31(10,11)19(4,5)6/h13-16,24-25H,12H2,1-11H3/t13-,14-,15+,16+,20+/m1/s1
InChIKeySCLDWSNKYCUODD-OJOVYZNWSA-N
XLogP4.11
TPSA133.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.74
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

Analyze methyl (1S,2S,3R,4R,5R)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R,3R,4S,5S)-2-azido-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolane-2-carboxylate
CID 100984961
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
(1R,2S,3R,4R,5R)-4-azido-2-[tert-butyl(dimethyl)silyl]oxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 156777454
(2R,3R,4R,5S,6S)-3,5-diazido-2-methoxy-6-methyloxan-4-ol
CID 101338794
[(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
[(3aS,4R,5R,6R,6aS)-6-azido-4-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]oxy-tert-butyl-dimethylsilane
CID 10813158
[(3R,4R,5S,6R)-2-acetyloxy-4-azido-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-3-yl] benzoate
CID 134971157
[(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
[(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-phenylmethoxyoxan-2-yl]methyl acetate
CID 86587178
[(2R,3S,4R,5S,6S)-4-acetyloxy-5-azido-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxyoxan-3-yl] acetate
CID 11675770
methyl (2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-hydroxy-3,4-bis(phenylmethoxy)oxane-2-carboxylate
CID 11400280
trans-(2R,6S)-6-azido-2-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol
CID 161192678

Frequently Asked Questions

What is the IUPAC name of methyl (1S,2S,3R,4R,5R)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylate?
The IUPAC name of methyl (1S,2S,3R,4R,5R)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylate (CID 102474541) is methyl (1S,2S,3R,4R,5R)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylate.
What is the SMILES notation for methyl (1S,2S,3R,4R,5R)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylate?
The canonical SMILES for methyl (1S,2S,3R,4R,5R)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylate is COC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)C[C@@H](O)[C@H](O)[C@@H](N=[N+]=[N-])[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (1S,2S,3R,4R,5R)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylate?
The InChIKey is SCLDWSNKYCUODD-OJOVYZNWSA-N. The full InChI is InChI=1S/C20H41N3O6Si2/c1-18(2,3)30(8,9)28-16-14(22-23-21)15(25)13(24)12-20(16,17(26)27-7)29-31(10,11)19(4,5)6/h13-16,24-25H,12H2,1-11H3/t13-,14-,15+,16+,20+/m1/s1.
What are the key properties of methyl (1S,2S,3R,4R,5R)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylate?
methyl (1S,2S,3R,4R,5R)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylate has a molecular weight of 475.74 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2S,3R,4R,5R)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 102474541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).