[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxy-λ5-phosphanylidene]tungsten

C22H30N3O8PW — CID 158556007

About [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxy-λ5-phosphanylidene]tungsten

[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxy-λ5-phosphanylidene]tungsten (PubChem CID 158556007) has the molecular formula C22H30N3O8PW and a molecular weight of 679.31 g/mol. Its IUPAC name is [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxy-λ5-phosphanylidene]tungsten.

Molecular Properties

• Compound Name: [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxy-λ5-phosphanylidene]tungsten
• PubChem CID: 158556007
• Molecular Formula: C22H30N3O8PW
• Molecular Weight: 679.31 g/mol
• Exact Mass: 679.13
• IUPAC Name: [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxy-λ5-phosphanylidene]tungsten
• SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=[W])(N[C@H](C)C(=O)OC(C)C)Oc3ccccc3)O2)c(=O)[nH]c1=O
• InChI: InChI=1S/C22H30N3O8P.W/c1-13(2)31-21(28)15(4)24-34(33-16-8-6-5-7-9-16)30-12-18-17(26)10-19(32-18)25-11-14(3)20(27)23-22(25)29;/h5-9,11,13,15,17-19,24,26H,10,12H2,1-4H3,(H,23,27,29);/t15-,17+,18-,19-,34?;/m1./s1
• InChIKey: NCVHQCYPTIDNLX-OQMGDRAUSA-N
• XLogP: 1.74
• TPSA: 141.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	679.31
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxy-λ5-phosphanylidene]tungsten?

The IUPAC name of [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxy-λ5-phosphanylidene]tungsten (CID 158556007) is [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxy-λ5-phosphanylidene]tungsten.

What is the SMILES notation for [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxy-λ5-phosphanylidene]tungsten?

The canonical SMILES for [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxy-λ5-phosphanylidene]tungsten is Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=[W])(N[C@H](C)C(=O)OC(C)C)Oc3ccccc3)O2)c(=O)[nH]c1=O.

What is the InChIKey of [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxy-λ5-phosphanylidene]tungsten?

The InChIKey is NCVHQCYPTIDNLX-OQMGDRAUSA-N. The full InChI is InChI=1S/C22H30N3O8P.W/c1-13(2)31-21(28)15(4)24-34(33-16-8-6-5-7-9-16)30-12-18-17(26)10-19(32-18)25-11-14(3)20(27)23-22(25)29;/h5-9,11,13,15,17-19,24,26H,10,12H2,1-4H3,(H,23,27,29);/t15-,17+,18-,19-,34?;/m1./s1.

What are the key properties of [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxy-λ5-phosphanylidene]tungsten?

[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxy-λ5-phosphanylidene]tungsten has a molecular weight of 679.31 g/mol, XLogP of 1.74, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxy-λ5-phosphanylidene]tungsten is sourced from PubChem (CID 158556007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).