(3S,4R,6S)-6-[(3S,4R,6S)-5-azido-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-ol

C24H47N3O5Si — CID 158492021

About (3S,4R,6S)-6-[(3S,4R,6S)-5-azido-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-ol

(3S,4R,6S)-6-[(3S,4R,6S)-5-azido-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-ol (PubChem CID 158492021) has the molecular formula C24H47N3O5Si and a molecular weight of 485.74 g/mol. Its IUPAC name is (3S,4R,6S)-6-[(3S,4R,6S)-5-azido-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-ol.

Molecular Properties

• Compound Name: (3S,4R,6S)-6-[(3S,4R,6S)-5-azido-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-ol
• PubChem CID: 158492021
• Molecular Formula: C24H47N3O5Si
• Molecular Weight: 485.74 g/mol
• Exact Mass: 485.33
• IUPAC Name: (3S,4R,6S)-6-[(3S,4R,6S)-5-azido-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-ol
• SMILES: CCC1O[C@@H](O[Si](C)(C)C(C)(C)C(C)C)C(N=[N+]=[N-])[C@@H](C)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](C)C1C
• InChI: InChI=1S/C24H47N3O5Si/c1-12-18-21(31-22-15(5)14(4)20(28)17(7)29-22)16(6)19(26-27-25)23(30-18)32-33(10,11)24(8,9)13(2)3/h13-23,28H,12H2,1-11H3/t14-,15?,16-,17?,18?,19?,20+,21+,22+,23+/m1/s1
• InChIKey: DBRCJOCSNMKCDQ-ODCCXUTKSA-N
• XLogP: 5.86
• TPSA: 105.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.74
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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'}

Frequently Asked Questions

What is the IUPAC name of (3S,4R,6S)-6-[(3S,4R,6S)-5-azido-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-ol?

The IUPAC name of (3S,4R,6S)-6-[(3S,4R,6S)-5-azido-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-ol (CID 158492021) is (3S,4R,6S)-6-[(3S,4R,6S)-5-azido-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-ol.

What is the SMILES notation for (3S,4R,6S)-6-[(3S,4R,6S)-5-azido-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-ol?

The canonical SMILES for (3S,4R,6S)-6-[(3S,4R,6S)-5-azido-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-ol is CCC1O[C@@H](O[Si](C)(C)C(C)(C)C(C)C)C(N=[N+]=[N-])[C@@H](C)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](C)C1C.

What is the InChIKey of (3S,4R,6S)-6-[(3S,4R,6S)-5-azido-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-ol?

The InChIKey is DBRCJOCSNMKCDQ-ODCCXUTKSA-N. The full InChI is InChI=1S/C24H47N3O5Si/c1-12-18-21(31-22-15(5)14(4)20(28)17(7)29-22)16(6)19(26-27-25)23(30-18)32-33(10,11)24(8,9)13(2)3/h13-23,28H,12H2,1-11H3/t14-,15?,16-,17?,18?,19?,20+,21+,22+,23+/m1/s1.

What are the key properties of (3S,4R,6S)-6-[(3S,4R,6S)-5-azido-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-ol?

(3S,4R,6S)-6-[(3S,4R,6S)-5-azido-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-ol has a molecular weight of 485.74 g/mol, XLogP of 5.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R,6S)-6-[(3S,4R,6S)-5-azido-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-ethyl-4-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-ol is sourced from PubChem (CID 158492021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).