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

C17H29N3O3Si — CID 10247403

IUPAC(2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O)[C@H](COCc1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C17H29N3O3Si/c1-17(2,3)24(4,5)23-13-16(21)15(19-20-18)12-22-11-14-9-7-6-8-10-14/h6-10,15-16,21H,11-13H2,1-5H3/t15-,16-/m0/s1
InChIKeyMDWSHOGSUXNBKP-HOTGVXAUSA-N
MW351.52 g/mol
LogP4.26
Rot. Bonds9

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

(2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol (PubChem CID 10247403) has the molecular formula C17H29N3O3Si and a molecular weight of 351.52 g/mol. Its IUPAC name is (2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol
PubChem CID10247403
Molecular FormulaC17H29N3O3Si
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC Name(2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O)[C@H](COCc1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C17H29N3O3Si/c1-17(2,3)24(4,5)23-13-16(21)15(19-20-18)12-22-11-14-9-7-6-8-10-14/h6-10,15-16,21H,11-13H2,1-5H3/t15-,16-/m0/s1
InChIKeyMDWSHOGSUXNBKP-HOTGVXAUSA-N
XLogP4.26
TPSA87.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(2S,3S,4S)-4-azido-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-phenylmethoxypentan-2-ol
CID 102160249
(2-azido-3-phenylpropoxy)-tert-butyl-dimethylsilane
CID 151887503
[(2S)-2-azido-3-phenylpropoxy]-tert-butyl-dimethylsilane
CID 154709006
(2S,3S)-3-azido-4-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxyphenoxy)butan-2-ol
CID 90032368
[(2S,3S)-3-azido-2-phenyl-4-phenylmethoxybutoxy]-tert-butyl-diphenylsilane
CID 101040416
[(2R,3S)-3-azido-2-(1-ethoxyethoxy)-4-phenylbutoxy]-tert-butyl-dimethylsilane
CID 10883732
[(2R,4R,5R)-2-azido-6-[tert-butyl(dimethyl)silyl]oxy-3,3-difluoro-5-hydroxy-4-phenylmethoxyhexyl] benzoate
CID 11627997
(1R,2S)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(furan-2-yl)propan-2-ol
CID 10979398
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol
CID 101470111
(2S,3R,4S,5R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol
CID 102034824
2-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxyacetic acid
CID 19350803
(2S,3S,4R)-2-azido-1-[(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]-4-phenylmethoxybutoxy]-3-[(2-methylpropan-2-yl)oxy]octadecan-4-ol
CID 91576922

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol?
The IUPAC name of (2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol (CID 10247403) is (2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol.
What is the SMILES notation for (2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol?
The canonical SMILES for (2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol is CC(C)(C)[Si](C)(C)OC[C@H](O)[C@H](COCc1ccccc1)N=[N+]=[N-].
What is the InChIKey of (2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol?
The InChIKey is MDWSHOGSUXNBKP-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H29N3O3Si/c1-17(2,3)24(4,5)23-13-16(21)15(19-20-18)12-22-11-14-9-7-6-8-10-14/h6-10,15-16,21H,11-13H2,1-5H3/t15-,16-/m0/s1.
What are the key properties of (2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol?
(2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol has a molecular weight of 351.52 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol is sourced from PubChem (CID 10247403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).