(3S,4R,5R)-2-[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-purin-3-yl]oxyamino]-5-(6-aminopurin-9-yl)-1,2-oxazolidine-3,4-diol

C18H24N12O8 — CID 89189281

About (3S,4R,5R)-2-[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-purin-3-yl]oxyamino]-5-(6-aminopurin-9-yl)-1,2-oxazolidine-3,4-diol

(3S,4R,5R)-2-[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-purin-3-yl]oxyamino]-5-(6-aminopurin-9-yl)-1,2-oxazolidine-3,4-diol (PubChem CID 89189281) has the molecular formula C18H24N12O8 and a molecular weight of 536.47 g/mol. Its IUPAC name is (3S,4R,5R)-2-[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-purin-3-yl]oxyamino]-5-(6-aminopurin-9-yl)-1,2-oxazolidine-3,4-diol.

Molecular Properties

• Compound Name: (3S,4R,5R)-2-[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-purin-3-yl]oxyamino]-5-(6-aminopurin-9-yl)-1,2-oxazolidine-3,4-diol
• PubChem CID: 89189281
• Molecular Formula: C18H24N12O8
• Molecular Weight: 536.47 g/mol
• Exact Mass: 536.18
• IUPAC Name: (3S,4R,5R)-2-[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-purin-3-yl]oxyamino]-5-(6-aminopurin-9-yl)-1,2-oxazolidine-3,4-diol
• SMILES: NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2N(ONN2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)C=N1
• InChI: InChI=1S/C18H24N12O8/c19-12-7-14(22-2-21-12)27(3-23-7)18-11(34)16(35)30(37-18)26-38-29-5-25-13(20)8-15(29)28(4-24-8)17-10(33)9(32)6(1-31)36-17/h2-6,9-11,15-18,26,31-35H,1,20H2,(H2,19,21,22)/t6-,9-,10-,11-,15?,16+,17-,18-/m1/s1
• InChIKey: WLEBDUHCJYOPLO-HZOOCPBCSA-N
• XLogP: -5.23
• TPSA: 270.95 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	536.47
LogP ≤ 5	-5.23
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-2-[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-purin-3-yl]oxyamino]-5-(6-aminopurin-9-yl)-1,2-oxazolidine-3,4-diol?

The IUPAC name of (3S,4R,5R)-2-[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-purin-3-yl]oxyamino]-5-(6-aminopurin-9-yl)-1,2-oxazolidine-3,4-diol (CID 89189281) is (3S,4R,5R)-2-[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-purin-3-yl]oxyamino]-5-(6-aminopurin-9-yl)-1,2-oxazolidine-3,4-diol.

What is the SMILES notation for (3S,4R,5R)-2-[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-purin-3-yl]oxyamino]-5-(6-aminopurin-9-yl)-1,2-oxazolidine-3,4-diol?

The canonical SMILES for (3S,4R,5R)-2-[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-purin-3-yl]oxyamino]-5-(6-aminopurin-9-yl)-1,2-oxazolidine-3,4-diol is NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2N(ONN2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)C=N1.

What is the InChIKey of (3S,4R,5R)-2-[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-purin-3-yl]oxyamino]-5-(6-aminopurin-9-yl)-1,2-oxazolidine-3,4-diol?

The InChIKey is WLEBDUHCJYOPLO-HZOOCPBCSA-N. The full InChI is InChI=1S/C18H24N12O8/c19-12-7-14(22-2-21-12)27(3-23-7)18-11(34)16(35)30(37-18)26-38-29-5-25-13(20)8-15(29)28(4-24-8)17-10(33)9(32)6(1-31)36-17/h2-6,9-11,15-18,26,31-35H,1,20H2,(H2,19,21,22)/t6-,9-,10-,11-,15?,16+,17-,18-/m1/s1.

What are the key properties of (3S,4R,5R)-2-[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-purin-3-yl]oxyamino]-5-(6-aminopurin-9-yl)-1,2-oxazolidine-3,4-diol?

(3S,4R,5R)-2-[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-purin-3-yl]oxyamino]-5-(6-aminopurin-9-yl)-1,2-oxazolidine-3,4-diol has a molecular weight of 536.47 g/mol, XLogP of -5.23, 6 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R,5R)-2-[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-purin-3-yl]oxyamino]-5-(6-aminopurin-9-yl)-1,2-oxazolidine-3,4-diol is sourced from PubChem (CID 89189281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).