[(5R)-5-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid;2-methylpropane;propan-2-ol

C24H45N6O8P — CID 144554862

About [(5R)-5-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid;2-methylpropane;propan-2-ol

[(5R)-5-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid;2-methylpropane;propan-2-ol (PubChem CID 144554862) has the molecular formula C24H45N6O8P and a molecular weight of 576.63 g/mol. Its IUPAC name is [(5R)-5-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid;2-methylpropane;propan-2-ol.

Molecular Properties

• Compound Name: [(5R)-5-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid;2-methylpropane;propan-2-ol
• PubChem CID: 144554862
• Molecular Formula: C24H45N6O8P
• Molecular Weight: 576.63 g/mol
• Exact Mass: 576.30
• IUPAC Name: [(5R)-5-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid;2-methylpropane;propan-2-ol
• SMILES: CC(C)C.CC(C)O.COc1nc(N)nc2c1ncn2[C@@H]1OC(COP(O)NCC(=O)OC(C)C)CC1(C)O
• InChI: InChI=1S/C17H27N6O7P.C4H10.C3H8O/c1-9(2)29-11(24)6-20-31(26)28-7-10-5-17(3,25)15(30-10)23-8-19-12-13(23)21-16(18)22-14(12)27-4;1-4(2)3;1-3(2)4/h8-10,15,20,25-26H,5-7H2,1-4H3,(H2,18,21,22);4H,1-3H3;3-4H,1-2H3/t10?,15-,17?,31?;;/m1../s1
• InChIKey: CFWSXSSYLSFOBE-PCBJWPTASA-N
• XLogP: 2.28
• TPSA: 196.33 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.63
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid;2-methylpropane;propan-2-ol?

The IUPAC name of [(5R)-5-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid;2-methylpropane;propan-2-ol (CID 144554862) is [(5R)-5-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid;2-methylpropane;propan-2-ol.

What is the SMILES notation for [(5R)-5-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid;2-methylpropane;propan-2-ol?

The canonical SMILES for [(5R)-5-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid;2-methylpropane;propan-2-ol is CC(C)C.CC(C)O.COc1nc(N)nc2c1ncn2[C@@H]1OC(COP(O)NCC(=O)OC(C)C)CC1(C)O.

What is the InChIKey of [(5R)-5-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid;2-methylpropane;propan-2-ol?

The InChIKey is CFWSXSSYLSFOBE-PCBJWPTASA-N. The full InChI is InChI=1S/C17H27N6O7P.C4H10.C3H8O/c1-9(2)29-11(24)6-20-31(26)28-7-10-5-17(3,25)15(30-10)23-8-19-12-13(23)21-16(18)22-14(12)27-4;1-4(2)3;1-3(2)4/h8-10,15,20,25-26H,5-7H2,1-4H3,(H2,18,21,22);4H,1-3H3;3-4H,1-2H3/t10?,15-,17?,31?;;/m1../s1.

What are the key properties of [(5R)-5-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid;2-methylpropane;propan-2-ol?

[(5R)-5-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid;2-methylpropane;propan-2-ol has a molecular weight of 576.63 g/mol, XLogP of 2.28, 9 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [(5R)-5-(2-amino-6-methoxypurin-9-yl)-4-hydroxy-4-methyloxolan-2-yl]methoxy-N-(2-oxo-2-propan-2-yloxyethyl)phosphonamidous acid;2-methylpropane;propan-2-ol is sourced from PubChem (CID 144554862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).