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

C22H38ClN5O4Si2 — CID 15172865

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

(2R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-one (PubChem CID 15172865) has the molecular formula C22H38ClN5O4Si2 and a molecular weight of 528.20 g/mol. Its IUPAC name is (2R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-one.

Molecular Properties

• Compound Name: (2R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-one
• PubChem CID: 15172865
• Molecular Formula: C22H38ClN5O4Si2
• Molecular Weight: 528.20 g/mol
• Exact Mass: 527.22
• IUPAC Name: (2R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-one
• SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)C(=O)[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C22H38ClN5O4Si2/c1-21(2,3)33(7,8)30-11-13-16(32-34(9,10)22(4,5)6)15(29)19(31-13)28-12-25-14-17(23)26-20(24)27-18(14)28/h12-13,16,19H,11H2,1-10H3,(H2,24,26,27)/t13-,16-,19-/m1/s1
• InChIKey: XCSBQYHCHYIGRL-VVFCZOMOSA-N
• XLogP: 4.94
• TPSA: 114.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.20
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-one (CID 15172865) is (2R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-one.

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

The canonical SMILES for (2R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-one is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(N)nc32)C(=O)[C@@H]1O[Si](C)(C)C(C)(C)C.

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

The InChIKey is XCSBQYHCHYIGRL-VVFCZOMOSA-N. The full InChI is InChI=1S/C22H38ClN5O4Si2/c1-21(2,3)33(7,8)30-11-13-16(32-34(9,10)22(4,5)6)15(29)19(31-13)28-12-25-14-17(23)26-20(24)27-18(14)28/h12-13,16,19H,11H2,1-10H3,(H2,24,26,27)/t13-,16-,19-/m1/s1.

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

(2R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-one has a molecular weight of 528.20 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-one is sourced from PubChem (CID 15172865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).