oxido-[[(2R)-1-[6-(propan-2-yloxycarbonylamino)purin-9-yl]propan-2-yl]oxymethylidene]-(propan-2-yloxycarbonyloxymethoxy)phosphanium

C18H26N5O8P — CID 156773787

About oxido-[[(2R)-1-[6-(propan-2-yloxycarbonylamino)purin-9-yl]propan-2-yl]oxymethylidene]-(propan-2-yloxycarbonyloxymethoxy)phosphanium

oxido-[[(2R)-1-[6-(propan-2-yloxycarbonylamino)purin-9-yl]propan-2-yl]oxymethylidene]-(propan-2-yloxycarbonyloxymethoxy)phosphanium (PubChem CID 156773787) has the molecular formula C18H26N5O8P and a molecular weight of 471.41 g/mol. Its IUPAC name is oxido-[[(2R)-1-[6-(propan-2-yloxycarbonylamino)purin-9-yl]propan-2-yl]oxymethylidene]-(propan-2-yloxycarbonyloxymethoxy)phosphanium.

Molecular Properties

• Compound Name: oxido-[[(2R)-1-[6-(propan-2-yloxycarbonylamino)purin-9-yl]propan-2-yl]oxymethylidene]-(propan-2-yloxycarbonyloxymethoxy)phosphanium
• PubChem CID: 156773787
• Molecular Formula: C18H26N5O8P
• Molecular Weight: 471.41 g/mol
• Exact Mass: 471.15
• IUPAC Name: oxido-[[(2R)-1-[6-(propan-2-yloxycarbonylamino)purin-9-yl]propan-2-yl]oxymethylidene]-(propan-2-yloxycarbonyloxymethoxy)phosphanium
• SMILES: CC(C)OC(=O)Nc1ncnc2c1ncn2C[C@@H](C)OC=[P+]([O-])OCOC(=O)OC(C)C
• InChI: InChI=1S/C18H26N5O8P/c1-11(2)30-17(24)22-15-14-16(20-7-19-15)23(8-21-14)6-13(5)28-10-32(26)29-9-27-18(25)31-12(3)4/h7-8,10-13H,6,9H2,1-5H3,(H,19,20,22,24)/t13-/m1/s1
• InChIKey: RWFYFUGHNADEIE-CYBMUJFWSA-N
• XLogP: 2.16
• TPSA: 158.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.41
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of oxido-[[(2R)-1-[6-(propan-2-yloxycarbonylamino)purin-9-yl]propan-2-yl]oxymethylidene]-(propan-2-yloxycarbonyloxymethoxy)phosphanium?

The IUPAC name of oxido-[[(2R)-1-[6-(propan-2-yloxycarbonylamino)purin-9-yl]propan-2-yl]oxymethylidene]-(propan-2-yloxycarbonyloxymethoxy)phosphanium (CID 156773787) is oxido-[[(2R)-1-[6-(propan-2-yloxycarbonylamino)purin-9-yl]propan-2-yl]oxymethylidene]-(propan-2-yloxycarbonyloxymethoxy)phosphanium.

What is the SMILES notation for oxido-[[(2R)-1-[6-(propan-2-yloxycarbonylamino)purin-9-yl]propan-2-yl]oxymethylidene]-(propan-2-yloxycarbonyloxymethoxy)phosphanium?

The canonical SMILES for oxido-[[(2R)-1-[6-(propan-2-yloxycarbonylamino)purin-9-yl]propan-2-yl]oxymethylidene]-(propan-2-yloxycarbonyloxymethoxy)phosphanium is CC(C)OC(=O)Nc1ncnc2c1ncn2C[C@@H](C)OC=[P+]([O-])OCOC(=O)OC(C)C.

What is the InChIKey of oxido-[[(2R)-1-[6-(propan-2-yloxycarbonylamino)purin-9-yl]propan-2-yl]oxymethylidene]-(propan-2-yloxycarbonyloxymethoxy)phosphanium?

The InChIKey is RWFYFUGHNADEIE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26N5O8P/c1-11(2)30-17(24)22-15-14-16(20-7-19-15)23(8-21-14)6-13(5)28-10-32(26)29-9-27-18(25)31-12(3)4/h7-8,10-13H,6,9H2,1-5H3,(H,19,20,22,24)/t13-/m1/s1.

What are the key properties of oxido-[[(2R)-1-[6-(propan-2-yloxycarbonylamino)purin-9-yl]propan-2-yl]oxymethylidene]-(propan-2-yloxycarbonyloxymethoxy)phosphanium?

oxido-[[(2R)-1-[6-(propan-2-yloxycarbonylamino)purin-9-yl]propan-2-yl]oxymethylidene]-(propan-2-yloxycarbonyloxymethoxy)phosphanium has a molecular weight of 471.41 g/mol, XLogP of 2.16, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for oxido-[[(2R)-1-[6-(propan-2-yloxycarbonylamino)purin-9-yl]propan-2-yl]oxymethylidene]-(propan-2-yloxycarbonyloxymethoxy)phosphanium is sourced from PubChem (CID 156773787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).