2-amino-9-[5-[[[5-(2-amino-6-oxidopurin-9-yl)-2-(phosphonomethoxy)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-olate;azane;platinum(2+)

C20H30N12O13P2Pt — CID 138402349

About 2-amino-9-[5-[[[5-(2-amino-6-oxidopurin-9-yl)-2-(phosphonomethoxy)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-olate;azane;platinum(2+)

2-amino-9-[5-[[[5-(2-amino-6-oxidopurin-9-yl)-2-(phosphonomethoxy)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-olate;azane;platinum(2+) (PubChem CID 138402349) has the molecular formula C20H30N12O13P2Pt and a molecular weight of 903.56 g/mol. Its IUPAC name is 2-amino-9-[5-[[[5-(2-amino-6-oxidopurin-9-yl)-2-(phosphonomethoxy)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-olate;azane;platinum(2+).

Molecular Properties

• Compound Name: 2-amino-9-[5-[[[5-(2-amino-6-oxidopurin-9-yl)-2-(phosphonomethoxy)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-olate;azane;platinum(2+)
• PubChem CID: 138402349
• Molecular Formula: C20H30N12O13P2Pt
• Molecular Weight: 903.56 g/mol
• Exact Mass: 903.12
• IUPAC Name: 2-amino-9-[5-[[[5-(2-amino-6-oxidopurin-9-yl)-2-(phosphonomethoxy)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-olate;azane;platinum(2+)
• SMILES: N.N.Nc1nc([O-])c2ncn(C3CC(O)C(COP(=O)(O)OC4CC(n5cnc6c([O-])nc(N)nc65)OC4OCP(=O)(O)O)O3)c2n1.[Pt+2]
• InChI: InChI=1S/C20H26N10O13P2.2H3N.Pt/c21-19-25-14-12(16(32)27-19)23-4-29(14)10-1-7(31)9(41-10)3-40-45(37,38)43-8-2-11(42-18(8)39-6-44(34,35)36)30-5-24-13-15(30)26-20(22)28-17(13)33;;;/h4-5,7-11,18,31H,1-3,6H2,(H,37,38)(H2,34,35,36)(H3,21,25,27,32)(H3,22,26,28,33);2*1H3;/q;;;+2/p-2
• InChIKey: XBWUCEOGYQEMNM-UHFFFAOYSA-L
• XLogP: -2.15
• TPSA: 416.57 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	903.56
LogP ≤ 5	-2.15
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[5-[[[5-(2-amino-6-oxidopurin-9-yl)-2-(phosphonomethoxy)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-olate;azane;platinum(2+)?

The IUPAC name of 2-amino-9-[5-[[[5-(2-amino-6-oxidopurin-9-yl)-2-(phosphonomethoxy)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-olate;azane;platinum(2+) (CID 138402349) is 2-amino-9-[5-[[[5-(2-amino-6-oxidopurin-9-yl)-2-(phosphonomethoxy)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-olate;azane;platinum(2+).

What is the SMILES notation for 2-amino-9-[5-[[[5-(2-amino-6-oxidopurin-9-yl)-2-(phosphonomethoxy)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-olate;azane;platinum(2+)?

The canonical SMILES for 2-amino-9-[5-[[[5-(2-amino-6-oxidopurin-9-yl)-2-(phosphonomethoxy)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-olate;azane;platinum(2+) is N.N.Nc1nc([O-])c2ncn(C3CC(O)C(COP(=O)(O)OC4CC(n5cnc6c([O-])nc(N)nc65)OC4OCP(=O)(O)O)O3)c2n1.[Pt+2].

What is the InChIKey of 2-amino-9-[5-[[[5-(2-amino-6-oxidopurin-9-yl)-2-(phosphonomethoxy)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-olate;azane;platinum(2+)?

The InChIKey is XBWUCEOGYQEMNM-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H26N10O13P2.2H3N.Pt/c21-19-25-14-12(16(32)27-19)23-4-29(14)10-1-7(31)9(41-10)3-40-45(37,38)43-8-2-11(42-18(8)39-6-44(34,35)36)30-5-24-13-15(30)26-20(22)28-17(13)33;;;/h4-5,7-11,18,31H,1-3,6H2,(H,37,38)(H2,34,35,36)(H3,21,25,27,32)(H3,22,26,28,33);2*1H3;/q;;;+2/p-2.

What are the key properties of 2-amino-9-[5-[[[5-(2-amino-6-oxidopurin-9-yl)-2-(phosphonomethoxy)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-olate;azane;platinum(2+)?

2-amino-9-[5-[[[5-(2-amino-6-oxidopurin-9-yl)-2-(phosphonomethoxy)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-olate;azane;platinum(2+) has a molecular weight of 903.56 g/mol, XLogP of -2.15, 10 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-9-[5-[[[5-(2-amino-6-oxidopurin-9-yl)-2-(phosphonomethoxy)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-olate;azane;platinum(2+) is sourced from PubChem (CID 138402349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).