[1-[(2S,3S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;[1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;bis(yttrium)

C33H55N7O7P2W2Y2 — CID 162220162

About [1-[(2S,3S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;[1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;bis(yttrium)

[1-[(2S,3S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;[1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;bis(yttrium) (PubChem CID 162220162) has the molecular formula C33H55N7O7P2W2Y2 and a molecular weight of 1269.28 g/mol. Its IUPAC name is [1-[(2S,3S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;[1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;bis(yttrium).

Molecular Properties

• Compound Name: [1-[(2S,3S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;[1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;bis(yttrium)
• PubChem CID: 162220162
• Molecular Formula: C33H55N7O7P2W2Y2
• Molecular Weight: 1269.28 g/mol
• Exact Mass: 1269.08
• IUPAC Name: [1-[(2S,3S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;[1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;bis(yttrium)
• SMILES: CC(O[PH](C)=[W])[C@@]1(C)O[C@@H](n2ccc(=O)[nH]c2=O)C(C)(C)[C@@H]1C.CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@](C)(C(C)O[PH](C)=[W])[C@@H](C)C1(C)C.[Y].[Y]
• InChI: InChI=1S/C18H30N5O3P.C15H25N2O4P.2W.2Y/c1-8-24-14-12-13(21-16(19)22-14)23(9-20-12)15-17(4,5)10(2)18(6,25-15)11(3)26-27-7;1-9-14(3,4)12(17-8-7-11(18)16-13(17)19)20-15(9,5)10(2)21-22-6;;;;/h9-11,15,27H,8H2,1-7H3,(H2,19,21,22);7-10,12,22H,1-6H3,(H,16,18,19);;;;/t10-,11?,15+,18-;9-,10?,12+,15-;;;;/m00..../s1
• InChIKey: KTMRACJLHRSSRX-VADWVWBRSA-N
• XLogP: 5.49
• TPSA: 170.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1269.28
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	2
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 [1-[(2S,3S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;[1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;bis(yttrium)?

The IUPAC name of [1-[(2S,3S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;[1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;bis(yttrium) (CID 162220162) is [1-[(2S,3S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;[1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;bis(yttrium).

What is the SMILES notation for [1-[(2S,3S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;[1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;bis(yttrium)?

The canonical SMILES for [1-[(2S,3S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;[1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;bis(yttrium) is CC(O[PH](C)=[W])[C@@]1(C)O[C@@H](n2ccc(=O)[nH]c2=O)C(C)(C)[C@@H]1C.CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@](C)(C(C)O[PH](C)=[W])[C@@H](C)C1(C)C.[Y].[Y].

What is the InChIKey of [1-[(2S,3S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;[1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;bis(yttrium)?

The InChIKey is KTMRACJLHRSSRX-VADWVWBRSA-N. The full InChI is InChI=1S/C18H30N5O3P.C15H25N2O4P.2W.2Y/c1-8-24-14-12-13(21-16(19)22-14)23(9-20-12)15-17(4,5)10(2)18(6,25-15)11(3)26-27-7;1-9-14(3,4)12(17-8-7-11(18)16-13(17)19)20-15(9,5)10(2)21-22-6;;;;/h9-11,15,27H,8H2,1-7H3,(H2,19,21,22);7-10,12,22H,1-6H3,(H,16,18,19);;;;/t10-,11?,15+,18-;9-,10?,12+,15-;;;;/m00..../s1.

What are the key properties of [1-[(2S,3S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;[1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;bis(yttrium)?

[1-[(2S,3S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;[1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;bis(yttrium) has a molecular weight of 1269.28 g/mol, XLogP of 5.49, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(2S,3S,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;[1-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,3,4,4-tetramethyloxolan-2-yl]ethoxy-methyl-λ5-phosphanylidene]tungsten;bis(yttrium) is sourced from PubChem (CID 162220162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).