Acyclovircaprylester

C₁₄H₂₁N₅O₄ — CID 135465921

About Acyclovircaprylester

Acyclovircaprylester (PubChem CID 135465921) has the molecular formula C₁₄H₂₁N₅O₄ and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl hexanoate.

Molecular Properties

• Compound Name: Acyclovircaprylester
• PubChem CID: 135465921
• Molecular Formula: C₁₄H₂₁N₅O₄
• Molecular Weight: 323.35 g/mol
• Exact Mass: 323.16
• IUPAC Name: 2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl hexanoate
• SMILES: CCCCCC(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21
• InChI: InChI=1S/C14H21N5O4/c1-2-3-4-5-10(20)23-7-6-22-9-19-8-16-11-12(19)17-14(15)18-13(11)21/h8H,2-7,9H2,1H3,(H3,15,17,18,21)
• InChIKey: SLVUVSMVSSTFHH-UHFFFAOYSA-N
• XLogP: 0.80
• TPSA: 125.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.35
LogP ≤ 5	0.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Acyclovircaprylester?

The IUPAC name of Acyclovircaprylester (CID 135465921) is 2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl hexanoate.

What is the SMILES notation for Acyclovircaprylester?

The canonical SMILES for Acyclovircaprylester is CCCCCC(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21.

What is the InChIKey of Acyclovircaprylester?

The InChIKey is SLVUVSMVSSTFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O4/c1-2-3-4-5-10(20)23-7-6-22-9-19-8-16-11-12(19)17-14(15)18-13(11)21/h8H,2-7,9H2,1H3,(H3,15,17,18,21).

What are the key properties of Acyclovircaprylester?

Acyclovircaprylester has a molecular weight of 323.35 g/mol, XLogP of 0.80, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Acyclovircaprylester is sourced from PubChem (CID 135465921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135465921 — identifiers, structure, computed properties (public domain)

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