[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;(3R,4R)-1,3,4,5-tetrahydroxypentan-2-one

C15H23N5O13P2+2 — CID 57348609

About [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;(3R,4R)-1,3,4,5-tetrahydroxypentan-2-one

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;(3R,4R)-1,3,4,5-tetrahydroxypentan-2-one (PubChem CID 57348609) has the molecular formula C15H23N5O13P2+2 and a molecular weight of 543.32 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;(3R,4R)-1,3,4,5-tetrahydroxypentan-2-one.

Molecular Properties

• Compound Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;(3R,4R)-1,3,4,5-tetrahydroxypentan-2-one
• PubChem CID: 57348609
• Molecular Formula: C15H23N5O13P2+2
• Molecular Weight: 543.32 g/mol
• Exact Mass: 543.08
• IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;(3R,4R)-1,3,4,5-tetrahydroxypentan-2-one
• SMILES: Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P+](=O)O[P+](=O)O)[C@@H](O)[C@H]1O.O=C(CO)[C@H](O)[C@H](O)CO
• InChI: InChI=1S/C10H12N5O8P2.C5H10O5/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-25(20)23-24(18)19;6-1-3(8)5(10)4(9)2-7/h2-4,6-7,10,16-17H,1H2,(H2-,11,12,13,18,19);3,5-8,10H,1-2H2/q+1;/p+1/t4-,6-,7-,10-;3-,5-/m11/s1
• InChIKey: BSYLVEPJHVBTRT-DBBUWLKYSA-O
• XLogP: -3.37
• TPSA: 290.13 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	543.32
LogP ≤ 5	-3.37
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;(3R,4R)-1,3,4,5-tetrahydroxypentan-2-one?

The IUPAC name of [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;(3R,4R)-1,3,4,5-tetrahydroxypentan-2-one (CID 57348609) is [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;(3R,4R)-1,3,4,5-tetrahydroxypentan-2-one.

What is the SMILES notation for [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;(3R,4R)-1,3,4,5-tetrahydroxypentan-2-one?

The canonical SMILES for [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;(3R,4R)-1,3,4,5-tetrahydroxypentan-2-one is Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P+](=O)O[P+](=O)O)[C@@H](O)[C@H]1O.O=C(CO)[C@H](O)[C@H](O)CO.

What is the InChIKey of [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;(3R,4R)-1,3,4,5-tetrahydroxypentan-2-one?

The InChIKey is BSYLVEPJHVBTRT-DBBUWLKYSA-O. The full InChI is InChI=1S/C10H12N5O8P2.C5H10O5/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-25(20)23-24(18)19;6-1-3(8)5(10)4(9)2-7/h2-4,6-7,10,16-17H,1H2,(H2-,11,12,13,18,19);3,5-8,10H,1-2H2/q+1;/p+1/t4-,6-,7-,10-;3-,5-/m11/s1.

What are the key properties of [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;(3R,4R)-1,3,4,5-tetrahydroxypentan-2-one?

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;(3R,4R)-1,3,4,5-tetrahydroxypentan-2-one has a molecular weight of 543.32 g/mol, XLogP of -3.37, 10 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;(3R,4R)-1,3,4,5-tetrahydroxypentan-2-one is sourced from PubChem (CID 57348609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).