[(2R,4R,5S)-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate

C16H24N2O14P2-2 — CID 45479252

About [(2R,4R,5S)-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate

[(2R,4R,5S)-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate (PubChem CID 45479252) has the molecular formula C16H24N2O14P2-2 and a molecular weight of 530.32 g/mol. Its IUPAC name is [(2R,4R,5S)-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-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,4R,5S)-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate
• PubChem CID: 45479252
• Molecular Formula: C16H24N2O14P2-2
• Molecular Weight: 530.32 g/mol
• Exact Mass: 530.07
• IUPAC Name: [(2R,4R,5S)-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-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]3C[C@@](O)(CO)[C@H](C)O3)O2)c(=O)[nH]c1=O
• InChI: InChI=1S/C16H26N2O14P2/c1-8-5-18(15(22)17-14(8)21)12-3-10(20)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-16(23,7-19)9(2)29-13/h5,9-13,19-20,23H,3-4,6-7H2,1-2H3,(H,24,25)(H,26,27)(H,17,21,22)/p-2/t9-,10-,11+,12+,13+,16+/m0/s1
• InChIKey: ICRULNVTLVURPM-SAXFHOJMSA-L
• XLogP: -2.66
• TPSA: 241.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.32
LogP ≤ 5	-2.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,4R,5S)-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-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,4R,5S)-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate (CID 45479252) is [(2R,4R,5S)-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-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,4R,5S)-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-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,4R,5S)-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-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]3C[C@@](O)(CO)[C@H](C)O3)O2)c(=O)[nH]c1=O.

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

The InChIKey is ICRULNVTLVURPM-SAXFHOJMSA-L. The full InChI is InChI=1S/C16H26N2O14P2/c1-8-5-18(15(22)17-14(8)21)12-3-10(20)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-16(23,7-19)9(2)29-13/h5,9-13,19-20,23H,3-4,6-7H2,1-2H3,(H,24,25)(H,26,27)(H,17,21,22)/p-2/t9-,10-,11+,12+,13+,16+/m0/s1.

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

[(2R,4R,5S)-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-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 530.32 g/mol, XLogP of -2.66, 9 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4R,5S)-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-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 45479252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).