CID 28177

C18H23N5NaO8P — CID 28177

About CID 28177

CID 28177 (PubChem CID 28177) has the molecular formula C18H23N5NaO8P and a molecular weight of 491.40 g/mol. Its IUPAC name is sodium [(3aR,4R,6R,6aR)-4-[6-(butanoylamino)purin-9-yl]-2-oxido-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl butanoate.

Molecular Properties

• Compound Name: CID 28177
• PubChem CID: 28177
• Molecular Formula: C18H23N5NaO8P
• Molecular Weight: 491.40 g/mol
• Exact Mass: 491.12
• IUPAC Name: sodium [(3aR,4R,6R,6aR)-4-[6-(butanoylamino)purin-9-yl]-2-oxido-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl butanoate
• SMILES: CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@H]4[C@@H]([C@H](O3)COC(=O)CCC)OP(=O)(O4)[O-].[Na+]
• InChIKey: BTRTVLHHULOPFJ-JBVYASIDSA-M
• XLogP: N/A
• TPSA: 167.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: 751

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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