(3S,4S,6S)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylperoxy-6-methylsulfanyloxan-3-ol

C24H33N3O5SSi — CID 91254431

IUPAC(3S,4S,6S)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylperoxy-6-methylsulfanyloxan-3-ol
SMILESCOOC1[C@@H](N=[N+]=[N-])[C@H](O)C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]1SC
InChIInChI=1S/C24H33N3O5SSi/c1-24(2,3)34(17-12-8-6-9-13-17,18-14-10-7-11-15-18)30-16-19-21(28)20(26-27-25)22(32-29-4)23(31-19)33-5/h6-15,19-23,28H,16H2,1-5H3/t19?,20-,21+,22?,23-/m0/s1
InChIKeyWXEBFHSZTZGKCU-XRKUWORCSA-N
MW503.70 g/mol
LogP3.64
Rot. Bonds9

About (3S,4S,6S)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylperoxy-6-methylsulfanyloxan-3-ol

(3S,4S,6S)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylperoxy-6-methylsulfanyloxan-3-ol (PubChem CID 91254431) has the molecular formula C24H33N3O5SSi and a molecular weight of 503.70 g/mol. Its IUPAC name is (3S,4S,6S)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylperoxy-6-methylsulfanyloxan-3-ol.

Molecular Properties

Compound Name(3S,4S,6S)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylperoxy-6-methylsulfanyloxan-3-ol
PubChem CID91254431
Molecular FormulaC24H33N3O5SSi
Molecular Weight503.70 g/mol
Exact Mass503.19
IUPAC Name(3S,4S,6S)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylperoxy-6-methylsulfanyloxan-3-ol
SMILESCOOC1[C@@H](N=[N+]=[N-])[C@H](O)C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]1SC
InChIInChI=1S/C24H33N3O5SSi/c1-24(2,3)34(17-12-8-6-9-13-17,18-14-10-7-11-15-18)30-16-19-21(28)20(26-27-25)22(32-29-4)23(31-19)33-5/h6-15,19-23,28H,16H2,1-5H3/t19?,20-,21+,22?,23-/m0/s1
InChIKeyWXEBFHSZTZGKCU-XRKUWORCSA-N
XLogP3.64
TPSA105.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.70
LogP ≤ 53.64
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

Methyl 6-O-(t-butyldiphenylsilyl)-1-thio-beta-D-galactopyranoside
CID 10718325
(1S)-1-[(2S,3S,4R)-3-azido-4-[tert-butyl(diphenyl)silyl]oxyoxolan-2-yl]ethane-1,2-diol
CID 57551944
(3R,4S,6S)-4-azido-5-benzyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylperoxy-6-methylsulfanyloxan-3-ol
CID 57747710
(3R,4R,6S)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-4-ol
CID 58400077
(3R,4R,6S)-5-amino-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxan-4-ol
CID 58400098
(3R,4R,6S)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methyl-6-methylsulfanyloxan-3-ol
CID 58678941
(3S,4R,6S)-5-azido-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)-6-methylsulfanyloxan-3-ol
CID 58678948
(3R,4R,6S)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methylsulfanyloxane-3,4-diol
CID 58678972
[(2S,4S,5R)-4-azido-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-2-methylsulfanyloxan-3-yl] 4-oxopentanoate
CID 58679017
(3R,4R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-ol
CID 58679019
(3R,4R,5R)-5-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-6-methylsulfanyloxan-3-ol
CID 60038004
CID 60038019
CID 60038019

Frequently Asked Questions

What is the IUPAC name of (3S,4S,6S)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylperoxy-6-methylsulfanyloxan-3-ol?
The IUPAC name of (3S,4S,6S)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylperoxy-6-methylsulfanyloxan-3-ol (CID 91254431) is (3S,4S,6S)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylperoxy-6-methylsulfanyloxan-3-ol.
What is the SMILES notation for (3S,4S,6S)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylperoxy-6-methylsulfanyloxan-3-ol?
The canonical SMILES for (3S,4S,6S)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylperoxy-6-methylsulfanyloxan-3-ol is COOC1[C@@H](N=[N+]=[N-])[C@H](O)C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]1SC.
What is the InChIKey of (3S,4S,6S)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylperoxy-6-methylsulfanyloxan-3-ol?
The InChIKey is WXEBFHSZTZGKCU-XRKUWORCSA-N. The full InChI is InChI=1S/C24H33N3O5SSi/c1-24(2,3)34(17-12-8-6-9-13-17,18-14-10-7-11-15-18)30-16-19-21(28)20(26-27-25)22(32-29-4)23(31-19)33-5/h6-15,19-23,28H,16H2,1-5H3/t19?,20-,21+,22?,23-/m0/s1.
What are the key properties of (3S,4S,6S)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylperoxy-6-methylsulfanyloxan-3-ol?
(3S,4S,6S)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylperoxy-6-methylsulfanyloxan-3-ol has a molecular weight of 503.70 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,6S)-4-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylperoxy-6-methylsulfanyloxan-3-ol is sourced from PubChem (CID 91254431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).