(1R,2S)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(furan-2-yl)propan-2-ol

C13H23N3O3Si — CID 10979398

IUPAC(1R,2S)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(furan-2-yl)propan-2-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](N=[N+]=[N-])c1ccco1
InChIInChI=1S/C13H23N3O3Si/c1-13(2,3)20(4,5)19-9-10(17)12(15-16-14)11-7-6-8-18-11/h6-8,10,12,17H,9H2,1-5H3/t10-,12-/m1/s1
InChIKeyWHNMXDNOXAMFSZ-ZYHUDNBSSA-N
MW297.43 g/mol
LogP4.01
Rot. Bonds6

About (1R,2S)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(furan-2-yl)propan-2-ol

(1R,2S)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(furan-2-yl)propan-2-ol (PubChem CID 10979398) has the molecular formula C13H23N3O3Si and a molecular weight of 297.43 g/mol. Its IUPAC name is (1R,2S)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(furan-2-yl)propan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(furan-2-yl)propan-2-ol
PubChem CID10979398
Molecular FormulaC13H23N3O3Si
Molecular Weight297.43 g/mol
Exact Mass297.15
IUPAC Name(1R,2S)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(furan-2-yl)propan-2-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](N=[N+]=[N-])c1ccco1
InChIInChI=1S/C13H23N3O3Si/c1-13(2,3)20(4,5)19-9-10(17)12(15-16-14)11-7-6-8-18-11/h6-8,10,12,17H,9H2,1-5H3/t10-,12-/m1/s1
InChIKeyWHNMXDNOXAMFSZ-ZYHUDNBSSA-N
XLogP4.01
TPSA91.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.01
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

(1R,2R)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)propan-2-ol
CID 10664705
(2R,3S)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybutan-2-ol
CID 10247403
(2R,3R)-3-azido-1-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentan-2-ol
CID 57239687
(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
(S)-azido(furan-2-yl)methanol
CID 135057123
4-azido-1-[tert-butyl(dimethyl)silyl]oxy-3-fluorobutan-2-ol
CID 174057536
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
(2S,3S,4S)-4-azido-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-3-phenylmethoxypentan-2-ol
CID 102160249
[2-azido-2-(2-methoxypyrimidin-5-yl)ethoxy]-tert-butyl-dimethylsilane
CID 90968003
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(furan-2-yl)propan-2-ol?
The IUPAC name of (1R,2S)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(furan-2-yl)propan-2-ol (CID 10979398) is (1R,2S)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(furan-2-yl)propan-2-ol.
What is the SMILES notation for (1R,2S)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(furan-2-yl)propan-2-ol?
The canonical SMILES for (1R,2S)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(furan-2-yl)propan-2-ol is CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](N=[N+]=[N-])c1ccco1.
What is the InChIKey of (1R,2S)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(furan-2-yl)propan-2-ol?
The InChIKey is WHNMXDNOXAMFSZ-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H23N3O3Si/c1-13(2,3)20(4,5)19-9-10(17)12(15-16-14)11-7-6-8-18-11/h6-8,10,12,17H,9H2,1-5H3/t10-,12-/m1/s1.
What are the key properties of (1R,2S)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(furan-2-yl)propan-2-ol?
(1R,2S)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(furan-2-yl)propan-2-ol has a molecular weight of 297.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-azido-3-[tert-butyl(dimethyl)silyl]oxy-1-(furan-2-yl)propan-2-ol is sourced from PubChem (CID 10979398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).