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

C17H28ClN5O3Si — CID 167580905

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

(2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyloxolan-3-ol (PubChem CID 167580905) has the molecular formula C17H28ClN5O3Si and a molecular weight of 413.98 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyloxolan-3-ol.

Molecular Properties

• Compound Name: (2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyloxolan-3-ol
• PubChem CID: 167580905
• Molecular Formula: C17H28ClN5O3Si
• Molecular Weight: 413.98 g/mol
• Exact Mass: 413.16
• IUPAC Name: (2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyloxolan-3-ol
• SMILES: CC[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O
• InChI: InChI=1S/C17H28ClN5O3Si/c1-7-9-11(24)12(26-27(5,6)17(2,3)4)15(25-9)23-8-20-10-13(19)21-16(18)22-14(10)23/h8-9,11-12,15,24H,7H2,1-6H3,(H2,19,21,22)/t9-,11-,12-,15-/m1/s1
• InChIKey: UMGZHAIVHNWMGZ-SDBHATRESA-N
• XLogP: 3.12
• TPSA: 108.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.98
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	2
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,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyloxolan-3-ol?

The IUPAC name of (2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyloxolan-3-ol (CID 167580905) is (2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyloxolan-3-ol.

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

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

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

The InChIKey is UMGZHAIVHNWMGZ-SDBHATRESA-N. The full InChI is InChI=1S/C17H28ClN5O3Si/c1-7-9-11(24)12(26-27(5,6)17(2,3)4)15(25-9)23-8-20-10-13(19)21-16(18)22-14(10)23/h8-9,11-12,15,24H,7H2,1-6H3,(H2,19,21,22)/t9-,11-,12-,15-/m1/s1.

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

(2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyloxolan-3-ol has a molecular weight of 413.98 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyloxolan-3-ol is sourced from PubChem (CID 167580905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).