(2S,3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyphenoxy)butan-2-ol

C17H29N3O4Si — CID 90032368

IUPAC(2S,3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyphenoxy)butan-2-ol
SMILESCOc1cccc(OC[C@@H](O)[C@H](CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-])c1
InChIInChI=1S/C17H29N3O4Si/c1-17(2,3)25(5,6)24-11-15(19-20-18)16(21)12-23-14-9-7-8-13(10-14)22-4/h7-10,15-16,21H,11-12H2,1-6H3/t15-,16+/m0/s1
InChIKeyMHDYLMNQXFMTJZ-JKSUJKDBSA-N
MW367.52 g/mol
LogP4.14
Rot. Bonds9

About (2S,3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyphenoxy)butan-2-ol

(2S,3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyphenoxy)butan-2-ol (PubChem CID 90032368) has the molecular formula C17H29N3O4Si and a molecular weight of 367.52 g/mol. Its IUPAC name is (2S,3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyphenoxy)butan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyphenoxy)butan-2-ol
PubChem CID90032368
Molecular FormulaC17H29N3O4Si
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name(2S,3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyphenoxy)butan-2-ol
SMILESCOc1cccc(OC[C@@H](O)[C@H](CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-])c1
InChIInChI=1S/C17H29N3O4Si/c1-17(2,3)25(5,6)24-11-15(19-20-18)16(21)12-23-14-9-7-8-13(10-14)22-4/h7-10,15-16,21H,11-12H2,1-6H3/t15-,16+/m0/s1
InChIKeyMHDYLMNQXFMTJZ-JKSUJKDBSA-N
XLogP4.14
TPSA96.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
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)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol
CID 10247403
(1R,2R)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)propan-2-ol
CID 10664705
(2R,3R)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentan-2-ol
CID 57239687
(2S,3S,4S)-4-azido-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-phenylmethoxypentan-2-ol
CID 102160249
(1R,2S)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(furan-2-yl)propan-2-ol
CID 10979398
methyl 2-azido-3-[3-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]phenyl]propanoate
CID 10364901
3-methoxy-1-(3-methoxyphenoxy)-3-methylbutan-2-ol
CID 114228799
[2-azido-2-(2-methoxypyrimidin-5-yl)ethoxy]-tert-butyl-dimethylsilane
CID 90968003
(2S,3S,5R)-2-azido-1-(3,5-difluorophenoxy)-5-methoxy-6-[(3-methoxyphenyl)methoxy]hexan-3-ol
CID 45112553
(2-azido-3-phenylpropoxy)-tert-butyl-dimethylsilane
CID 151887503
[(2S)-2-azido-3-phenylpropoxy]-tert-butyl-dimethylsilane
CID 154709006
1-(3-aminophenoxy)-3-(3-methoxyphenoxy)propan-2-ol
CID 62269535

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyphenoxy)butan-2-ol?
The IUPAC name of (2S,3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyphenoxy)butan-2-ol (CID 90032368) is (2S,3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyphenoxy)butan-2-ol.
What is the SMILES notation for (2S,3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyphenoxy)butan-2-ol?
The canonical SMILES for (2S,3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyphenoxy)butan-2-ol is COc1cccc(OC[C@@H](O)[C@H](CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-])c1.
What is the InChIKey of (2S,3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyphenoxy)butan-2-ol?
The InChIKey is MHDYLMNQXFMTJZ-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H29N3O4Si/c1-17(2,3)25(5,6)24-11-15(19-20-18)16(21)12-23-14-9-7-8-13(10-14)22-4/h7-10,15-16,21H,11-12H2,1-6H3/t15-,16+/m0/s1.
What are the key properties of (2S,3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyphenoxy)butan-2-ol?
(2S,3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyphenoxy)butan-2-ol has a molecular weight of 367.52 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyphenoxy)butan-2-ol is sourced from PubChem (CID 90032368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).