[(2R,5R)-5-[2-(aminodiazenyl)-6-oxo-1H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium

C10H13N7O7P+ — CID 137183501

About [(2R,5R)-5-[2-(aminodiazenyl)-6-oxo-1H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium

[(2R,5R)-5-[2-(aminodiazenyl)-6-oxo-1H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium (PubChem CID 137183501) has the molecular formula C10H13N7O7P+ and a molecular weight of 374.23 g/mol. Its IUPAC name is [(2R,5R)-5-[2-(aminodiazenyl)-6-oxo-1H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium.

Molecular Properties

• Compound Name: [(2R,5R)-5-[2-(aminodiazenyl)-6-oxo-1H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium
• PubChem CID: 137183501
• Molecular Formula: C10H13N7O7P+
• Molecular Weight: 374.23 g/mol
• Exact Mass: 374.06
• IUPAC Name: [(2R,5R)-5-[2-(aminodiazenyl)-6-oxo-1H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium
• SMILES: NN=Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P+](=O)O)C(O)C2O)c(=O)[nH]1
• InChI: InChI=1S/C10H12N7O7P/c11-16-15-10-13-7-4(8(20)14-10)12-2-17(7)9-6(19)5(18)3(24-9)1-23-25(21)22/h2-3,5-6,9,18-19H,1H2,(H3-,11,13,14,15,20,21,22)/p+1/t3-,5?,6?,9-/m1/s1
• InChIKey: JMHIYQBFCVSAKK-VKJDSPIKSA-O
• XLogP: -1.64
• TPSA: 210.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	374.23
LogP ≤ 5	-1.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-[2-(aminodiazenyl)-6-oxo-1H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium?

The IUPAC name of [(2R,5R)-5-[2-(aminodiazenyl)-6-oxo-1H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium (CID 137183501) is [(2R,5R)-5-[2-(aminodiazenyl)-6-oxo-1H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium.

What is the SMILES notation for [(2R,5R)-5-[2-(aminodiazenyl)-6-oxo-1H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium?

The canonical SMILES for [(2R,5R)-5-[2-(aminodiazenyl)-6-oxo-1H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium is NN=Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P+](=O)O)C(O)C2O)c(=O)[nH]1.

What is the InChIKey of [(2R,5R)-5-[2-(aminodiazenyl)-6-oxo-1H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium?

The InChIKey is JMHIYQBFCVSAKK-VKJDSPIKSA-O. The full InChI is InChI=1S/C10H12N7O7P/c11-16-15-10-13-7-4(8(20)14-10)12-2-17(7)9-6(19)5(18)3(24-9)1-23-25(21)22/h2-3,5-6,9,18-19H,1H2,(H3-,11,13,14,15,20,21,22)/p+1/t3-,5?,6?,9-/m1/s1.

What are the key properties of [(2R,5R)-5-[2-(aminodiazenyl)-6-oxo-1H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium?

[(2R,5R)-5-[2-(aminodiazenyl)-6-oxo-1H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium has a molecular weight of 374.23 g/mol, XLogP of -1.64, 5 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,5R)-5-[2-(aminodiazenyl)-6-oxo-1H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 137183501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).