(2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol

C19H33N5O4Si — CID 67165594

About (2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol

(2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol (PubChem CID 67165594) has the molecular formula C19H33N5O4Si and a molecular weight of 423.59 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol
• PubChem CID: 67165594
• Molecular Formula: C19H33N5O4Si
• Molecular Weight: 423.59 g/mol
• Exact Mass: 423.23
• IUPAC Name: (2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol
• SMILES: CC(C)[Si](OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O)(C(C)C)C(C)C
• InChI: InChI=1S/C19H33N5O4Si/c1-10(2)29(11(3)4,12(5)6)27-7-13-15(25)16(26)19(28-13)24-9-23-14-17(20)21-8-22-18(14)24/h8-13,15-16,19,25-26H,7H2,1-6H3,(H2,20,21,22)/t13-,15-,16+,19-/m1/s1
• InChIKey: UUPJQXPYQJEJDR-JNNRSPCRSA-N
• XLogP: 2.22
• TPSA: 128.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.59
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	3
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,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol?

The IUPAC name of (2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol (CID 67165594) is (2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol.

What is the SMILES notation for (2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol?

The canonical SMILES for (2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol is CC(C)[Si](OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O)(C(C)C)C(C)C.

What is the InChIKey of (2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol?

The InChIKey is UUPJQXPYQJEJDR-JNNRSPCRSA-N. The full InChI is InChI=1S/C19H33N5O4Si/c1-10(2)29(11(3)4,12(5)6)27-7-13-15(25)16(26)19(28-13)24-9-23-14-17(20)21-8-22-18(14)24/h8-13,15-16,19,25-26H,7H2,1-6H3,(H2,20,21,22)/t13-,15-,16+,19-/m1/s1.

What are the key properties of (2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol?

(2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol has a molecular weight of 423.59 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-[tri(propan-2-yl)silyloxymethyl]oxolane-3,4-diol is sourced from PubChem (CID 67165594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).