[(2R,3S,5R)-5-(5-iodo-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] 3-[ethyl-[2-[(6-iodoquinoxaline-2-carbonyl)amino]ethyl]amino]propanoate

C34H48I2N6O7Si — CID 71813197

About [(2R,3S,5R)-5-(5-iodo-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] 3-[ethyl-[2-[(6-iodoquinoxaline-2-carbonyl)amino]ethyl]amino]propanoate

[(2R,3S,5R)-5-(5-iodo-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] 3-[ethyl-[2-[(6-iodoquinoxaline-2-carbonyl)amino]ethyl]amino]propanoate (PubChem CID 71813197) has the molecular formula C34H48I2N6O7Si and a molecular weight of 934.69 g/mol. Its IUPAC name is [(2R,3S,5R)-5-(5-iodo-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] 3-[ethyl-[2-[(6-iodoquinoxaline-2-carbonyl)amino]ethyl]amino]propanoate.

Molecular Properties

• Compound Name: [(2R,3S,5R)-5-(5-iodo-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] 3-[ethyl-[2-[(6-iodoquinoxaline-2-carbonyl)amino]ethyl]amino]propanoate
• PubChem CID: 71813197
• Molecular Formula: C34H48I2N6O7Si
• Molecular Weight: 934.69 g/mol
• Exact Mass: 934.14
• IUPAC Name: [(2R,3S,5R)-5-(5-iodo-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] 3-[ethyl-[2-[(6-iodoquinoxaline-2-carbonyl)amino]ethyl]amino]propanoate
• SMILES: CCN(CCNC(=O)c1cnc2cc(I)ccc2n1)CCC(=O)O[C@H]1C[C@H](n2cc(I)c(=O)[nH]c2=O)O[C@@H]1CO[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C34H48I2N6O7Si/c1-8-41(14-12-37-33(45)27-17-38-26-15-23(35)9-10-25(26)39-27)13-11-31(43)49-28-16-30(42-18-24(36)32(44)40-34(42)46)48-29(28)19-47-50(20(2)3,21(4)5)22(6)7/h9-10,15,17-18,20-22,28-30H,8,11-14,16,19H2,1-7H3,(H,37,45)(H,40,44,46)/t28-,29+,30+/m0/s1
• InChIKey: SIYKHOIBZDFUJM-FRXPANAUSA-N
• XLogP: 5.22
• TPSA: 157.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	934.69
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-5-(5-iodo-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] 3-[ethyl-[2-[(6-iodoquinoxaline-2-carbonyl)amino]ethyl]amino]propanoate?

The IUPAC name of [(2R,3S,5R)-5-(5-iodo-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] 3-[ethyl-[2-[(6-iodoquinoxaline-2-carbonyl)amino]ethyl]amino]propanoate (CID 71813197) is [(2R,3S,5R)-5-(5-iodo-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] 3-[ethyl-[2-[(6-iodoquinoxaline-2-carbonyl)amino]ethyl]amino]propanoate.

What is the SMILES notation for [(2R,3S,5R)-5-(5-iodo-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] 3-[ethyl-[2-[(6-iodoquinoxaline-2-carbonyl)amino]ethyl]amino]propanoate?

The canonical SMILES for [(2R,3S,5R)-5-(5-iodo-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] 3-[ethyl-[2-[(6-iodoquinoxaline-2-carbonyl)amino]ethyl]amino]propanoate is CCN(CCNC(=O)c1cnc2cc(I)ccc2n1)CCC(=O)O[C@H]1C[C@H](n2cc(I)c(=O)[nH]c2=O)O[C@@H]1CO[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of [(2R,3S,5R)-5-(5-iodo-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] 3-[ethyl-[2-[(6-iodoquinoxaline-2-carbonyl)amino]ethyl]amino]propanoate?

The InChIKey is SIYKHOIBZDFUJM-FRXPANAUSA-N. The full InChI is InChI=1S/C34H48I2N6O7Si/c1-8-41(14-12-37-33(45)27-17-38-26-15-23(35)9-10-25(26)39-27)13-11-31(43)49-28-16-30(42-18-24(36)32(44)40-34(42)46)48-29(28)19-47-50(20(2)3,21(4)5)22(6)7/h9-10,15,17-18,20-22,28-30H,8,11-14,16,19H2,1-7H3,(H,37,45)(H,40,44,46)/t28-,29+,30+/m0/s1.

What are the key properties of [(2R,3S,5R)-5-(5-iodo-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] 3-[ethyl-[2-[(6-iodoquinoxaline-2-carbonyl)amino]ethyl]amino]propanoate?

[(2R,3S,5R)-5-(5-iodo-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] 3-[ethyl-[2-[(6-iodoquinoxaline-2-carbonyl)amino]ethyl]amino]propanoate has a molecular weight of 934.69 g/mol, XLogP of 5.22, 16 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,5R)-5-(5-iodo-2,4-dioxopyrimidin-1-yl)-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] 3-[ethyl-[2-[(6-iodoquinoxaline-2-carbonyl)amino]ethyl]amino]propanoate is sourced from PubChem (CID 71813197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).