[3-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-1-(2-methoxyethoxy)pentan-2-yl] methyl hydrogen phosphate;ethane

C19H38N5O8P — CID 143010594

About [3-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-1-(2-methoxyethoxy)pentan-2-yl] methyl hydrogen phosphate;ethane

[3-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-1-(2-methoxyethoxy)pentan-2-yl] methyl hydrogen phosphate;ethane (PubChem CID 143010594) has the molecular formula C19H38N5O8P and a molecular weight of 495.51 g/mol. Its IUPAC name is [3-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-1-(2-methoxyethoxy)pentan-2-yl] methyl hydrogen phosphate;ethane.

Molecular Properties

• Compound Name: [3-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-1-(2-methoxyethoxy)pentan-2-yl] methyl hydrogen phosphate;ethane
• PubChem CID: 143010594
• Molecular Formula: C19H38N5O8P
• Molecular Weight: 495.51 g/mol
• Exact Mass: 495.25
• IUPAC Name: [3-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-1-(2-methoxyethoxy)pentan-2-yl] methyl hydrogen phosphate;ethane
• SMILES: CC.CC.CCC(OCn1cnc2c(=O)[nH]c(N)nc21)C(COCCOC)OP(=O)(O)OC
• InChI: InChI=1S/C15H26N5O8P.2C2H6/c1-4-10(11(7-26-6-5-24-2)28-29(22,23)25-3)27-9-20-8-17-12-13(20)18-15(16)19-14(12)21;2*1-2/h8,10-11H,4-7,9H2,1-3H3,(H,22,23)(H3,16,18,19,21);2*1-2H3
• InChIKey: MZYROMIRWIJHJZ-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 173.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.51
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-1-(2-methoxyethoxy)pentan-2-yl] methyl hydrogen phosphate;ethane?

The IUPAC name of [3-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-1-(2-methoxyethoxy)pentan-2-yl] methyl hydrogen phosphate;ethane (CID 143010594) is [3-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-1-(2-methoxyethoxy)pentan-2-yl] methyl hydrogen phosphate;ethane.

What is the SMILES notation for [3-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-1-(2-methoxyethoxy)pentan-2-yl] methyl hydrogen phosphate;ethane?

The canonical SMILES for [3-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-1-(2-methoxyethoxy)pentan-2-yl] methyl hydrogen phosphate;ethane is CC.CC.CCC(OCn1cnc2c(=O)[nH]c(N)nc21)C(COCCOC)OP(=O)(O)OC.

What is the InChIKey of [3-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-1-(2-methoxyethoxy)pentan-2-yl] methyl hydrogen phosphate;ethane?

The InChIKey is MZYROMIRWIJHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N5O8P.2C2H6/c1-4-10(11(7-26-6-5-24-2)28-29(22,23)25-3)27-9-20-8-17-12-13(20)18-15(16)19-14(12)21;2*1-2/h8,10-11H,4-7,9H2,1-3H3,(H,22,23)(H3,16,18,19,21);2*1-2H3.

What are the key properties of [3-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-1-(2-methoxyethoxy)pentan-2-yl] methyl hydrogen phosphate;ethane?

[3-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-1-(2-methoxyethoxy)pentan-2-yl] methyl hydrogen phosphate;ethane has a molecular weight of 495.51 g/mol, XLogP of 2.30, 13 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-1-(2-methoxyethoxy)pentan-2-yl] methyl hydrogen phosphate;ethane is sourced from PubChem (CID 143010594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).