1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-ethynylimidazole-4-carboxamide

C29H55N3O5Si3 — CID 15280197

About 1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-ethynylimidazole-4-carboxamide

1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-ethynylimidazole-4-carboxamide (PubChem CID 15280197) has the molecular formula C29H55N3O5Si3 and a molecular weight of 610.03 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-ethynylimidazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-ethynylimidazole-4-carboxamide
• PubChem CID: 15280197
• Molecular Formula: C29H55N3O5Si3
• Molecular Weight: 610.03 g/mol
• Exact Mass: 609.34
• IUPAC Name: 1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-ethynylimidazole-4-carboxamide
• SMILES: C#Cc1c(C(N)=O)ncn1[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C29H55N3O5Si3/c1-17-20-22(25(30)33)31-19-32(20)26-24(37-40(15,16)29(8,9)10)23(36-39(13,14)28(5,6)7)21(35-26)18-34-38(11,12)27(2,3)4/h1,19,21,23-24,26H,18H2,2-16H3,(H2,30,33)/t21-,23-,24-,26-/m1/s1
• InChIKey: KSATVRBPBWDTNK-IGGXFAESSA-N
• XLogP: 6.66
• TPSA: 97.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.03
LogP ≤ 5	6.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-ethynylimidazole-4-carboxamide?

The IUPAC name of 1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-ethynylimidazole-4-carboxamide (CID 15280197) is 1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-ethynylimidazole-4-carboxamide.

What is the SMILES notation for 1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-ethynylimidazole-4-carboxamide?

The canonical SMILES for 1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-ethynylimidazole-4-carboxamide is C#Cc1c(C(N)=O)ncn1[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-ethynylimidazole-4-carboxamide?

The InChIKey is KSATVRBPBWDTNK-IGGXFAESSA-N. The full InChI is InChI=1S/C29H55N3O5Si3/c1-17-20-22(25(30)33)31-19-32(20)26-24(37-40(15,16)29(8,9)10)23(36-39(13,14)28(5,6)7)21(35-26)18-34-38(11,12)27(2,3)4/h1,19,21,23-24,26H,18H2,2-16H3,(H2,30,33)/t21-,23-,24-,26-/m1/s1.

What are the key properties of 1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-ethynylimidazole-4-carboxamide?

1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-ethynylimidazole-4-carboxamide has a molecular weight of 610.03 g/mol, XLogP of 6.66, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-ethynylimidazole-4-carboxamide is sourced from PubChem (CID 15280197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).