[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-chloropurin-9-yl)oxolan-2-yl]methanol

C22H39ClN4O4Si2 — CID 174009285

About [(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-chloropurin-9-yl)oxolan-2-yl]methanol

[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-chloropurin-9-yl)oxolan-2-yl]methanol (PubChem CID 174009285) has the molecular formula C22H39ClN4O4Si2 and a molecular weight of 515.20 g/mol. Its IUPAC name is [(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-chloropurin-9-yl)oxolan-2-yl]methanol.

Molecular Properties

• Compound Name: [(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-chloropurin-9-yl)oxolan-2-yl]methanol
• PubChem CID: 174009285
• Molecular Formula: C22H39ClN4O4Si2
• Molecular Weight: 515.20 g/mol
• Exact Mass: 514.22
• IUPAC Name: [(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-chloropurin-9-yl)oxolan-2-yl]methanol
• SMILES: CC(C)(C)[Si](C)(C)OC1C(O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1n1cnc2c(Cl)ncnc21
• InChI: InChI=1S/C22H39ClN4O4Si2/c1-21(2,3)32(7,8)30-16-14(11-28)29-20(17(16)31-33(9,10)22(4,5)6)27-13-26-15-18(23)24-12-25-19(15)27/h12-14,16-17,20,28H,11H2,1-10H3/t14-,16?,17?,20-/m1/s1
• InChIKey: MFJUTUPAZMCBJI-SPTDJYCLSA-N
• XLogP: 5.15
• TPSA: 91.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.20
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-chloropurin-9-yl)oxolan-2-yl]methanol?

The IUPAC name of [(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-chloropurin-9-yl)oxolan-2-yl]methanol (CID 174009285) is [(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-chloropurin-9-yl)oxolan-2-yl]methanol.

What is the SMILES notation for [(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-chloropurin-9-yl)oxolan-2-yl]methanol?

The canonical SMILES for [(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-chloropurin-9-yl)oxolan-2-yl]methanol is CC(C)(C)[Si](C)(C)OC1C(O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1n1cnc2c(Cl)ncnc21.

What is the InChIKey of [(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-chloropurin-9-yl)oxolan-2-yl]methanol?

The InChIKey is MFJUTUPAZMCBJI-SPTDJYCLSA-N. The full InChI is InChI=1S/C22H39ClN4O4Si2/c1-21(2,3)32(7,8)30-16-14(11-28)29-20(17(16)31-33(9,10)22(4,5)6)27-13-26-15-18(23)24-12-25-19(15)27/h12-14,16-17,20,28H,11H2,1-10H3/t14-,16?,17?,20-/m1/s1.

What are the key properties of [(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-chloropurin-9-yl)oxolan-2-yl]methanol?

[(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-chloropurin-9-yl)oxolan-2-yl]methanol has a molecular weight of 515.20 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(6-chloropurin-9-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 174009285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).