2-[[[5-(4-amino-5-chloro-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane

C26H34ClF2N4O7P — CID 144900318

About 2-[[[5-(4-amino-5-chloro-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane

2-[[[5-(4-amino-5-chloro-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane (PubChem CID 144900318) has the molecular formula C26H34ClF2N4O7P and a molecular weight of 619.00 g/mol. Its IUPAC name is 2-[[[5-(4-amino-5-chloro-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane.

Molecular Properties

• Compound Name: 2-[[[5-(4-amino-5-chloro-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane
• PubChem CID: 144900318
• Molecular Formula: C26H34ClF2N4O7P
• Molecular Weight: 619.00 g/mol
• Exact Mass: 618.18
• IUPAC Name: 2-[[[5-(4-amino-5-chloro-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane
• SMILES: COC(C)C.FCF.Nc1nc(=O)n(C2OC(COP(NCC=O)Oc3cccc4ccccc34)CC2O)cc1Cl
• InChI: InChI=1S/C21H22ClN4O6P.C4H10O.CH2F2/c22-16-11-26(21(29)25-19(16)23)20-17(28)10-14(31-20)12-30-33(24-8-9-27)32-18-7-3-5-13-4-1-2-6-15(13)18;1-4(2)5-3;2-1-3/h1-7,9,11,14,17,20,24,28H,8,10,12H2,(H2,23,25,29);4H,1-3H3;1H2
• InChIKey: GIONNDGCYAMBFI-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 147.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.00
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[[5-(4-amino-5-chloro-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane?

The IUPAC name of 2-[[[5-(4-amino-5-chloro-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane (CID 144900318) is 2-[[[5-(4-amino-5-chloro-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane.

What is the SMILES notation for 2-[[[5-(4-amino-5-chloro-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane?

The canonical SMILES for 2-[[[5-(4-amino-5-chloro-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane is COC(C)C.FCF.Nc1nc(=O)n(C2OC(COP(NCC=O)Oc3cccc4ccccc34)CC2O)cc1Cl.

What is the InChIKey of 2-[[[5-(4-amino-5-chloro-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane?

The InChIKey is GIONNDGCYAMBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN4O6P.C4H10O.CH2F2/c22-16-11-26(21(29)25-19(16)23)20-17(28)10-14(31-20)12-30-33(24-8-9-27)32-18-7-3-5-13-4-1-2-6-15(13)18;1-4(2)5-3;2-1-3/h1-7,9,11,14,17,20,24,28H,8,10,12H2,(H2,23,25,29);4H,1-3H3;1H2.

What are the key properties of 2-[[[5-(4-amino-5-chloro-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane?

2-[[[5-(4-amino-5-chloro-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane has a molecular weight of 619.00 g/mol, XLogP of 4.32, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[[5-(4-amino-5-chloro-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphanyl]amino]acetaldehyde;difluoromethane;2-methoxypropane is sourced from PubChem (CID 144900318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).