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

C22H31N3O4Si — CID 10252065

IUPAC(2R,3S)-3-azido-4-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxybutan-2-ol
SMILESCOC(OC)[C@H](O)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C22H31N3O4Si/c1-22(2,3)30(17-12-8-6-9-13-17,18-14-10-7-11-15-18)29-16-19(24-25-23)20(26)21(27-4)28-5/h6-15,19-21,26H,16H2,1-5H3/t19-,20+/m0/s1
InChIKeyKRNZUHAUPSQCHA-VQTJNVASSA-N
MW429.59 g/mol
LogP3.22
Rot. Bonds10

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

(2R,3S)-3-azido-4-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxybutan-2-ol (PubChem CID 10252065) has the molecular formula C22H31N3O4Si and a molecular weight of 429.59 g/mol. Its IUPAC name is (2R,3S)-3-azido-4-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxybutan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-azido-4-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxybutan-2-ol
PubChem CID10252065
Molecular FormulaC22H31N3O4Si
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name(2R,3S)-3-azido-4-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxybutan-2-ol
SMILESCOC(OC)[C@H](O)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C22H31N3O4Si/c1-22(2,3)30(17-12-8-6-9-13-17,18-14-10-7-11-15-18)29-16-19(24-25-23)20(26)21(27-4)28-5/h6-15,19-21,26H,16H2,1-5H3/t19-,20+/m0/s1
InChIKeyKRNZUHAUPSQCHA-VQTJNVASSA-N
XLogP3.22
TPSA96.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.22
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(2S,3S,4R)-2-azido-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxyoctadecan-4-yl] benzoate
CID 24807858
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
[(2S,3S)-3-azido-2-phenyl-4-phenylmethoxybutoxy]-tert-butyl-diphenylsilane
CID 101040416
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol
CID 15451317
methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate
CID 53492893
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-phenylselanylpropan-2-ol
CID 11305910
(2R,3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyloct-5-yn-3-ol
CID 101020089
(2S,3R,4S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyloct-5-yn-3-ol
CID 10549448
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-azido-4-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxybutan-2-ol?
The IUPAC name of (2R,3S)-3-azido-4-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxybutan-2-ol (CID 10252065) is (2R,3S)-3-azido-4-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxybutan-2-ol.
What is the SMILES notation for (2R,3S)-3-azido-4-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxybutan-2-ol?
The canonical SMILES for (2R,3S)-3-azido-4-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxybutan-2-ol is COC(OC)[C@H](O)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-].
What is the InChIKey of (2R,3S)-3-azido-4-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxybutan-2-ol?
The InChIKey is KRNZUHAUPSQCHA-VQTJNVASSA-N. The full InChI is InChI=1S/C22H31N3O4Si/c1-22(2,3)30(17-12-8-6-9-13-17,18-14-10-7-11-15-18)29-16-19(24-25-23)20(26)21(27-4)28-5/h6-15,19-21,26H,16H2,1-5H3/t19-,20+/m0/s1.
What are the key properties of (2R,3S)-3-azido-4-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxybutan-2-ol?
(2R,3S)-3-azido-4-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxybutan-2-ol has a molecular weight of 429.59 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-azido-4-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxybutan-2-ol is sourced from PubChem (CID 10252065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).