(2S,3R,4R,5R,6R)-3-azido-5-phenylmethoxy-2-phenylsulfanyl-6-(trimethylsilyloxymethyl)oxan-4-ol

C22H29N3O4SSi — CID 11236514

IUPAC(2S,3R,4R,5R,6R)-3-azido-5-phenylmethoxy-2-phenylsulfanyl-6-(trimethylsilyloxymethyl)oxan-4-ol
SMILESC[Si](C)(C)OC[C@H]1O[C@@H](Sc2ccccc2)[C@H](N=[N+]=[N-])[C@@H](O)[C@H]1OCc1ccccc1
InChIInChI=1S/C22H29N3O4SSi/c1-31(2,3)28-15-18-21(27-14-16-10-6-4-7-11-16)20(26)19(24-25-23)22(29-18)30-17-12-8-5-9-13-17/h4-13,18-22,26H,14-15H2,1-3H3/t18-,19-,20-,21+,22+/m1/s1
InChIKeyDPZZNUDBFPWSRX-YXIAPDDASA-N
MW459.64 g/mol
LogP4.98
Rot. Bonds9

About (2S,3R,4R,5R,6R)-3-azido-5-phenylmethoxy-2-phenylsulfanyl-6-(trimethylsilyloxymethyl)oxan-4-ol

(2S,3R,4R,5R,6R)-3-azido-5-phenylmethoxy-2-phenylsulfanyl-6-(trimethylsilyloxymethyl)oxan-4-ol (PubChem CID 11236514) has the molecular formula C22H29N3O4SSi and a molecular weight of 459.64 g/mol. Its IUPAC name is (2S,3R,4R,5R,6R)-3-azido-5-phenylmethoxy-2-phenylsulfanyl-6-(trimethylsilyloxymethyl)oxan-4-ol.

Molecular Properties

Compound Name(2S,3R,4R,5R,6R)-3-azido-5-phenylmethoxy-2-phenylsulfanyl-6-(trimethylsilyloxymethyl)oxan-4-ol
PubChem CID11236514
Molecular FormulaC22H29N3O4SSi
Molecular Weight459.64 g/mol
Exact Mass459.16
IUPAC Name(2S,3R,4R,5R,6R)-3-azido-5-phenylmethoxy-2-phenylsulfanyl-6-(trimethylsilyloxymethyl)oxan-4-ol
SMILESC[Si](C)(C)OC[C@H]1O[C@@H](Sc2ccccc2)[C@H](N=[N+]=[N-])[C@@H](O)[C@H]1OCc1ccccc1
InChIInChI=1S/C22H29N3O4SSi/c1-31(2,3)28-15-18-21(27-14-16-10-6-4-7-11-16)20(26)19(24-25-23)22(29-18)30-17-12-8-5-9-13-17/h4-13,18-22,26H,14-15H2,1-3H3/t18-,19-,20-,21+,22+/m1/s1
InChIKeyDPZZNUDBFPWSRX-YXIAPDDASA-N
XLogP4.98
TPSA96.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.64
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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,4R,5R,6S)-5-azido-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-4-ol
CID 91098001
5-azido-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-ol
CID 23115739
(2R,3S,4R,5R,6S)-5-azido-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-phenylsulfanyloxan-3-ol
CID 10528627
[(2R,3S,4R,5R,6S)-5-azido-3-hydroxy-4-phenylmethoxy-6-phenylsulfanyloxan-2-yl]methyl methanesulfonate
CID 53466764
[(2R,3R,4R,5R)-5-azido-6-(4-methylphenyl)sulfanyl-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 53376927
[(2R,3S,4R,5R,6R)-5-azido-2-(hydroxymethyl)-3-phenylmethoxy-6-phenylsulfanyloxan-4-yl] acetate
CID 101247249
(2R,3S,4R,5R)-5-azido-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4-diol
CID 15343435
(2S,3R,4S,5S,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-phenylsulfanyloxan-3-ol
CID 10721223
(2R,3S,4R,5S,6R)-4,5-diazido-2-(hydroxymethyl)-6-phenylsulfanyloxan-3-ol
CID 54577685
(2S,3R,4R,5R,6S)-5-azido-2-(azidomethyl)-4-fluoro-6-(4-methylphenyl)sulfanyl-3-phenylmethoxyoxane
CID 168793354
[(2R,3S,4R,5R,6S)-5-azido-4-phenylmethoxy-6-phenylsulfanyl-3-(trifluoromethylsulfonyloxy)oxan-2-yl]methyl 2,2,2-trichloroethanimidate
CID 11204594
[(2R,3S,4R,5R,6S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-6-(4-methylphenyl)sulfanyl-4-phenylmethoxyoxan-2-yl]methyl acetate
CID 132553905

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6R)-3-azido-5-phenylmethoxy-2-phenylsulfanyl-6-(trimethylsilyloxymethyl)oxan-4-ol?
The IUPAC name of (2S,3R,4R,5R,6R)-3-azido-5-phenylmethoxy-2-phenylsulfanyl-6-(trimethylsilyloxymethyl)oxan-4-ol (CID 11236514) is (2S,3R,4R,5R,6R)-3-azido-5-phenylmethoxy-2-phenylsulfanyl-6-(trimethylsilyloxymethyl)oxan-4-ol.
What is the SMILES notation for (2S,3R,4R,5R,6R)-3-azido-5-phenylmethoxy-2-phenylsulfanyl-6-(trimethylsilyloxymethyl)oxan-4-ol?
The canonical SMILES for (2S,3R,4R,5R,6R)-3-azido-5-phenylmethoxy-2-phenylsulfanyl-6-(trimethylsilyloxymethyl)oxan-4-ol is C[Si](C)(C)OC[C@H]1O[C@@H](Sc2ccccc2)[C@H](N=[N+]=[N-])[C@@H](O)[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,3R,4R,5R,6R)-3-azido-5-phenylmethoxy-2-phenylsulfanyl-6-(trimethylsilyloxymethyl)oxan-4-ol?
The InChIKey is DPZZNUDBFPWSRX-YXIAPDDASA-N. The full InChI is InChI=1S/C22H29N3O4SSi/c1-31(2,3)28-15-18-21(27-14-16-10-6-4-7-11-16)20(26)19(24-25-23)22(29-18)30-17-12-8-5-9-13-17/h4-13,18-22,26H,14-15H2,1-3H3/t18-,19-,20-,21+,22+/m1/s1.
What are the key properties of (2S,3R,4R,5R,6R)-3-azido-5-phenylmethoxy-2-phenylsulfanyl-6-(trimethylsilyloxymethyl)oxan-4-ol?
(2S,3R,4R,5R,6R)-3-azido-5-phenylmethoxy-2-phenylsulfanyl-6-(trimethylsilyloxymethyl)oxan-4-ol has a molecular weight of 459.64 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R,6R)-3-azido-5-phenylmethoxy-2-phenylsulfanyl-6-(trimethylsilyloxymethyl)oxan-4-ol is sourced from PubChem (CID 11236514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).