(2R,3R,4S,5R)-2-(6-amino-2-propoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;bicyclo[2.2.1]heptane

C20H31N5O5 — CID 121486738

About (2R,3R,4S,5R)-2-(6-amino-2-propoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;bicyclo[2.2.1]heptane

(2R,3R,4S,5R)-2-(6-amino-2-propoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;bicyclo[2.2.1]heptane (PubChem CID 121486738) has the molecular formula C20H31N5O5 and a molecular weight of 421.50 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(6-amino-2-propoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;bicyclo[2.2.1]heptane.

Molecular Properties

• Compound Name: (2R,3R,4S,5R)-2-(6-amino-2-propoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;bicyclo[2.2.1]heptane
• PubChem CID: 121486738
• Molecular Formula: C20H31N5O5
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.23
• IUPAC Name: (2R,3R,4S,5R)-2-(6-amino-2-propoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;bicyclo[2.2.1]heptane
• SMILES: C1CC2CCC1C2.CCCOc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
• InChI: InChI=1S/C13H19N5O5.C7H12/c1-2-3-22-13-16-10(14)7-11(17-13)18(5-15-7)12-9(21)8(20)6(4-19)23-12;1-2-7-4-3-6(1)5-7/h5-6,8-9,12,19-21H,2-4H2,1H3,(H2,14,16,17);6-7H,1-5H2/t6-,8-,9-,12-;/m1./s1
• InChIKey: GULZGABSMHXBFW-OUTCZKRVSA-N
• XLogP: 1.01
• TPSA: 148.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	1.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(6-amino-2-propoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;bicyclo[2.2.1]heptane?

The IUPAC name of (2R,3R,4S,5R)-2-(6-amino-2-propoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;bicyclo[2.2.1]heptane (CID 121486738) is (2R,3R,4S,5R)-2-(6-amino-2-propoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;bicyclo[2.2.1]heptane.

What is the SMILES notation for (2R,3R,4S,5R)-2-(6-amino-2-propoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;bicyclo[2.2.1]heptane?

The canonical SMILES for (2R,3R,4S,5R)-2-(6-amino-2-propoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;bicyclo[2.2.1]heptane is C1CC2CCC1C2.CCCOc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1.

What is the InChIKey of (2R,3R,4S,5R)-2-(6-amino-2-propoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;bicyclo[2.2.1]heptane?

The InChIKey is GULZGABSMHXBFW-OUTCZKRVSA-N. The full InChI is InChI=1S/C13H19N5O5.C7H12/c1-2-3-22-13-16-10(14)7-11(17-13)18(5-15-7)12-9(21)8(20)6(4-19)23-12;1-2-7-4-3-6(1)5-7/h5-6,8-9,12,19-21H,2-4H2,1H3,(H2,14,16,17);6-7H,1-5H2/t6-,8-,9-,12-;/m1./s1.

What are the key properties of (2R,3R,4S,5R)-2-(6-amino-2-propoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;bicyclo[2.2.1]heptane?

(2R,3R,4S,5R)-2-(6-amino-2-propoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;bicyclo[2.2.1]heptane has a molecular weight of 421.50 g/mol, XLogP of 1.01, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R)-2-(6-amino-2-propoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;bicyclo[2.2.1]heptane is sourced from PubChem (CID 121486738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).