[(2R,3R,4S)-3,4-dihydroxy-6,6-dimethyl-5-oxooxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate

C17H24N2O15P2-2 — CID 90658613

About [(2R,3R,4S)-3,4-dihydroxy-6,6-dimethyl-5-oxooxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate

[(2R,3R,4S)-3,4-dihydroxy-6,6-dimethyl-5-oxooxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate (PubChem CID 90658613) has the molecular formula C17H24N2O15P2-2 and a molecular weight of 558.33 g/mol. Its IUPAC name is [(2R,3R,4S)-3,4-dihydroxy-6,6-dimethyl-5-oxooxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate.

Molecular Properties

• Compound Name: [(2R,3R,4S)-3,4-dihydroxy-6,6-dimethyl-5-oxooxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate
• PubChem CID: 90658613
• Molecular Formula: C17H24N2O15P2-2
• Molecular Weight: 558.33 g/mol
• Exact Mass: 558.07
• IUPAC Name: [(2R,3R,4S)-3,4-dihydroxy-6,6-dimethyl-5-oxooxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate
• SMILES: Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3OC(C)(C)C(=O)[C@@H](O)[C@H]3O)O2)c(=O)[nH]c1=O
• InChI: InChI=1S/C17H26N2O15P2/c1-7-5-19(16(25)18-14(7)24)10-4-8(20)9(31-10)6-30-35(26,27)34-36(28,29)33-15-12(22)11(21)13(23)17(2,3)32-15/h5,8-12,15,20-22H,4,6H2,1-3H3,(H,26,27)(H,28,29)(H,18,24,25)/p-2/t8-,9+,10+,11-,12+,15+/m0/s1
• InChIKey: BZFIQNRMGGOSLJ-XGBCXMNYSA-L
• XLogP: -3.09
• TPSA: 259.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.33
LogP ≤ 5	-3.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S)-3,4-dihydroxy-6,6-dimethyl-5-oxooxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate?

The IUPAC name of [(2R,3R,4S)-3,4-dihydroxy-6,6-dimethyl-5-oxooxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate (CID 90658613) is [(2R,3R,4S)-3,4-dihydroxy-6,6-dimethyl-5-oxooxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate.

What is the SMILES notation for [(2R,3R,4S)-3,4-dihydroxy-6,6-dimethyl-5-oxooxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate?

The canonical SMILES for [(2R,3R,4S)-3,4-dihydroxy-6,6-dimethyl-5-oxooxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate is Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3OC(C)(C)C(=O)[C@@H](O)[C@H]3O)O2)c(=O)[nH]c1=O.

What is the InChIKey of [(2R,3R,4S)-3,4-dihydroxy-6,6-dimethyl-5-oxooxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate?

The InChIKey is BZFIQNRMGGOSLJ-XGBCXMNYSA-L. The full InChI is InChI=1S/C17H26N2O15P2/c1-7-5-19(16(25)18-14(7)24)10-4-8(20)9(31-10)6-30-35(26,27)34-36(28,29)33-15-12(22)11(21)13(23)17(2,3)32-15/h5,8-12,15,20-22H,4,6H2,1-3H3,(H,26,27)(H,28,29)(H,18,24,25)/p-2/t8-,9+,10+,11-,12+,15+/m0/s1.

What are the key properties of [(2R,3R,4S)-3,4-dihydroxy-6,6-dimethyl-5-oxooxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate?

[(2R,3R,4S)-3,4-dihydroxy-6,6-dimethyl-5-oxooxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate has a molecular weight of 558.33 g/mol, XLogP of -3.09, 8 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S)-3,4-dihydroxy-6,6-dimethyl-5-oxooxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate is sourced from PubChem (CID 90658613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).