[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(2-methylpropoxy)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

C19H32N2O17P2 — CID 24808243

About [(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(2-methylpropoxy)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(2-methylpropoxy)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate (PubChem CID 24808243) has the molecular formula C19H32N2O17P2 and a molecular weight of 622.41 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(2-methylpropoxy)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate.

Molecular Properties

• Compound Name: [(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(2-methylpropoxy)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
• PubChem CID: 24808243
• Molecular Formula: C19H32N2O17P2
• Molecular Weight: 622.41 g/mol
• Exact Mass: 622.12
• IUPAC Name: [(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(2-methylpropoxy)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
• SMILES: CC(C)CO[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H]1O
• InChI: InChI=1S/C19H32N2O17P2/c1-8(2)6-33-16-13(25)9(5-22)36-18(15(16)27)37-40(31,32)38-39(29,30)34-7-10-12(24)14(26)17(35-10)21-4-3-11(23)20-19(21)28/h3-4,8-10,12-18,22,24-27H,5-7H2,1-2H3,(H,29,30)(H,31,32)(H,20,23,28)/t9-,10-,12-,13-,14-,15-,16+,17-,18-/m1/s1
• InChIKey: CZSSFELNCDNHRQ-CCNCDQEASA-N
• XLogP: -3.11
• TPSA: 285.99 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	622.41
LogP ≤ 5	-3.11
H-Bond Donors ≤ 5	8
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,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(2-methylpropoxy)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate?

The IUPAC name of [(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(2-methylpropoxy)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate (CID 24808243) is [(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(2-methylpropoxy)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate.

What is the SMILES notation for [(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(2-methylpropoxy)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate?

The canonical SMILES for [(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(2-methylpropoxy)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate is CC(C)CO[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H]1O.

What is the InChIKey of [(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(2-methylpropoxy)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate?

The InChIKey is CZSSFELNCDNHRQ-CCNCDQEASA-N. The full InChI is InChI=1S/C19H32N2O17P2/c1-8(2)6-33-16-13(25)9(5-22)36-18(15(16)27)37-40(31,32)38-39(29,30)34-7-10-12(24)14(26)17(35-10)21-4-3-11(23)20-19(21)28/h3-4,8-10,12-18,22,24-27H,5-7H2,1-2H3,(H,29,30)(H,31,32)(H,20,23,28)/t9-,10-,12-,13-,14-,15-,16+,17-,18-/m1/s1.

What are the key properties of [(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(2-methylpropoxy)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate?

[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(2-methylpropoxy)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate has a molecular weight of 622.41 g/mol, XLogP of -3.11, 12 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(2-methylpropoxy)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate is sourced from PubChem (CID 24808243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).