(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4-[(3R)-3-methoxydecoxy]oxan-3-ol

C23H47N3O6Si — CID 59343128

IUPAC(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4-[(3R)-3-methoxydecoxy]oxan-3-ol
SMILESCCCCCCC[C@H](CCO[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N=[N+]=[N-])OC
InChIInChI=1S/C23H47N3O6Si/c1-8-9-10-11-12-13-17(29-5)14-15-30-21-19(25-26-24)22(31-18(16-27)20(21)28)32-33(6,7)23(2,3)4/h17-22,27-28H,8-16H2,1-7H3/t17-,18-,19-,20-,21-,22+/m1/s1
InChIKeyAMLNSKOMSPBBPR-ILHTXMRTSA-N
MW489.73 g/mol
LogP4.92
Rot. Bonds15

About (2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4-[(3R)-3-methoxydecoxy]oxan-3-ol

(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4-[(3R)-3-methoxydecoxy]oxan-3-ol (PubChem CID 59343128) has the molecular formula C23H47N3O6Si and a molecular weight of 489.73 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4-[(3R)-3-methoxydecoxy]oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4-[(3R)-3-methoxydecoxy]oxan-3-ol
PubChem CID59343128
Molecular FormulaC23H47N3O6Si
Molecular Weight489.73 g/mol
Exact Mass489.32
IUPAC Name(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4-[(3R)-3-methoxydecoxy]oxan-3-ol
SMILESCCCCCCC[C@H](CCO[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N=[N+]=[N-])OC
InChIInChI=1S/C23H47N3O6Si/c1-8-9-10-11-12-13-17(29-5)14-15-30-21-19(25-26-24)22(31-18(16-27)20(21)28)32-33(6,7)23(2,3)4/h17-22,27-28H,8-16H2,1-7H3/t17-,18-,19-,20-,21-,22+/m1/s1
InChIKeyAMLNSKOMSPBBPR-ILHTXMRTSA-N
XLogP4.92
TPSA126.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.73
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4-[(3R)-3-methoxydecoxy]oxan-3-ol with MolForge

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Related Compounds

(3S,4R,6S)-5-azido-4-butoxy-2-(hydroxymethyl)-6-methoxyoxan-3-ol
CID 89468055
2,2,2-trifluoro-N-[(2S,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(3R)-3-methoxydecoxy]-2-prop-2-enoxyoxan-3-yl]acetamide
CID 59080406
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-methoxyoctadecoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 169047378
[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(3R)-3-methoxydecoxy]-2-[(E)-prop-1-enoxy]oxan-3-yl] (Z)-octadec-11-enoate
CID 86628380
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-octadecan-8-yloxyoxane-3,4,5-triol
CID 22843670
4-(3-methoxydecoxy)-2-(methoxymethyl)-5,6-dimethyloxan-3-ol
CID 58675427
N-[(2S,3S,4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-4-hexadecoxy-3-methoxybutyl]-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11215908
(2R,3S,4R,5R,6S)-5-azido-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxan-3-ol
CID 52918421
[(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-phenylmethoxyoxan-2-yl]methyl acetate
CID 86587178
(2R,3S,4R)-4-azido-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 130936452
(3S,6R)-2-(hydroxymethyl)-6-octan-3-yloxyoxane-3,4,5-triol
CID 70889334
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(3R)-octan-3-yl]oxyoxane-3,4,5-triol
CID 99129955

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4-[(3R)-3-methoxydecoxy]oxan-3-ol?
The IUPAC name of (2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4-[(3R)-3-methoxydecoxy]oxan-3-ol (CID 59343128) is (2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4-[(3R)-3-methoxydecoxy]oxan-3-ol.
What is the SMILES notation for (2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4-[(3R)-3-methoxydecoxy]oxan-3-ol?
The canonical SMILES for (2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4-[(3R)-3-methoxydecoxy]oxan-3-ol is CCCCCCC[C@H](CCO[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N=[N+]=[N-])OC.
What is the InChIKey of (2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4-[(3R)-3-methoxydecoxy]oxan-3-ol?
The InChIKey is AMLNSKOMSPBBPR-ILHTXMRTSA-N. The full InChI is InChI=1S/C23H47N3O6Si/c1-8-9-10-11-12-13-17(29-5)14-15-30-21-19(25-26-24)22(31-18(16-27)20(21)28)32-33(6,7)23(2,3)4/h17-22,27-28H,8-16H2,1-7H3/t17-,18-,19-,20-,21-,22+/m1/s1.
What are the key properties of (2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4-[(3R)-3-methoxydecoxy]oxan-3-ol?
(2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4-[(3R)-3-methoxydecoxy]oxan-3-ol has a molecular weight of 489.73 g/mol, XLogP of 4.92, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4-[(3R)-3-methoxydecoxy]oxan-3-ol is sourced from PubChem (CID 59343128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).