methyl 2-[[[(2R,3R)-2-[(4-amino-2-oxopyrimidin-1-yl)methoxy]-3,4-dihydroxypentoxy]-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]phosphoryl]amino]-4-methylpentanoate

C24H44N5O10P — CID 90213155

About methyl 2-[[[(2R,3R)-2-[(4-amino-2-oxopyrimidin-1-yl)methoxy]-3,4-dihydroxypentoxy]-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]phosphoryl]amino]-4-methylpentanoate

methyl 2-[[[(2R,3R)-2-[(4-amino-2-oxopyrimidin-1-yl)methoxy]-3,4-dihydroxypentoxy]-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]phosphoryl]amino]-4-methylpentanoate (PubChem CID 90213155) has the molecular formula C24H44N5O10P and a molecular weight of 593.62 g/mol. Its IUPAC name is methyl 2-[[[(2R,3R)-2-[(4-amino-2-oxopyrimidin-1-yl)methoxy]-3,4-dihydroxypentoxy]-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]phosphoryl]amino]-4-methylpentanoate.

Molecular Properties

• Compound Name: methyl 2-[[[(2R,3R)-2-[(4-amino-2-oxopyrimidin-1-yl)methoxy]-3,4-dihydroxypentoxy]-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]phosphoryl]amino]-4-methylpentanoate
• PubChem CID: 90213155
• Molecular Formula: C24H44N5O10P
• Molecular Weight: 593.62 g/mol
• Exact Mass: 593.28
• IUPAC Name: methyl 2-[[[(2R,3R)-2-[(4-amino-2-oxopyrimidin-1-yl)methoxy]-3,4-dihydroxypentoxy]-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]phosphoryl]amino]-4-methylpentanoate
• SMILES: COC(=O)C(CC(C)C)NP(=O)(NC(CC(C)C)C(=O)OC)OC[C@@H](OCn1ccc(N)nc1=O)[C@H](O)C(C)O
• InChI: InChI=1S/C24H44N5O10P/c1-14(2)10-17(22(32)36-6)27-40(35,28-18(11-15(3)4)23(33)37-7)39-12-19(21(31)16(5)30)38-13-29-9-8-20(25)26-24(29)34/h8-9,14-19,21,30-31H,10-13H2,1-7H3,(H2,25,26,34)(H2,27,28,35)/t16?,17?,18?,19-,21-,40?/m1/s1
• InChIKey: AMAPLWNMNFLOIH-CXAARHCYSA-N
• XLogP: 0.39
• TPSA: 213.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.62
LogP ≤ 5	0.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[(2R,3R)-2-[(4-amino-2-oxopyrimidin-1-yl)methoxy]-3,4-dihydroxypentoxy]-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]phosphoryl]amino]-4-methylpentanoate?

The IUPAC name of methyl 2-[[[(2R,3R)-2-[(4-amino-2-oxopyrimidin-1-yl)methoxy]-3,4-dihydroxypentoxy]-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]phosphoryl]amino]-4-methylpentanoate (CID 90213155) is methyl 2-[[[(2R,3R)-2-[(4-amino-2-oxopyrimidin-1-yl)methoxy]-3,4-dihydroxypentoxy]-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]phosphoryl]amino]-4-methylpentanoate.

What is the SMILES notation for methyl 2-[[[(2R,3R)-2-[(4-amino-2-oxopyrimidin-1-yl)methoxy]-3,4-dihydroxypentoxy]-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]phosphoryl]amino]-4-methylpentanoate?

The canonical SMILES for methyl 2-[[[(2R,3R)-2-[(4-amino-2-oxopyrimidin-1-yl)methoxy]-3,4-dihydroxypentoxy]-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]phosphoryl]amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NP(=O)(NC(CC(C)C)C(=O)OC)OC[C@@H](OCn1ccc(N)nc1=O)[C@H](O)C(C)O.

What is the InChIKey of methyl 2-[[[(2R,3R)-2-[(4-amino-2-oxopyrimidin-1-yl)methoxy]-3,4-dihydroxypentoxy]-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]phosphoryl]amino]-4-methylpentanoate?

The InChIKey is AMAPLWNMNFLOIH-CXAARHCYSA-N. The full InChI is InChI=1S/C24H44N5O10P/c1-14(2)10-17(22(32)36-6)27-40(35,28-18(11-15(3)4)23(33)37-7)39-12-19(21(31)16(5)30)38-13-29-9-8-20(25)26-24(29)34/h8-9,14-19,21,30-31H,10-13H2,1-7H3,(H2,25,26,34)(H2,27,28,35)/t16?,17?,18?,19-,21-,40?/m1/s1.

What are the key properties of methyl 2-[[[(2R,3R)-2-[(4-amino-2-oxopyrimidin-1-yl)methoxy]-3,4-dihydroxypentoxy]-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]phosphoryl]amino]-4-methylpentanoate?

methyl 2-[[[(2R,3R)-2-[(4-amino-2-oxopyrimidin-1-yl)methoxy]-3,4-dihydroxypentoxy]-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]phosphoryl]amino]-4-methylpentanoate has a molecular weight of 593.62 g/mol, XLogP of 0.39, 18 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[[(2R,3R)-2-[(4-amino-2-oxopyrimidin-1-yl)methoxy]-3,4-dihydroxypentoxy]-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]phosphoryl]amino]-4-methylpentanoate is sourced from PubChem (CID 90213155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).