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

C15H24N2O15P2 — CID 10143373

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

[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate (PubChem CID 10143373) has the molecular formula C15H24N2O15P2 and a molecular weight of 534.30 g/mol. Its IUPAC name is [4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate.

Molecular Properties

• Compound Name: [4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
• PubChem CID: 10143373
• Molecular Formula: C15H24N2O15P2
• Molecular Weight: 534.30 g/mol
• Exact Mass: 534.07
• IUPAC Name: [4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
• SMILES: O=c1ccn(C2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC3CC(O)C(O)C(CO)O3)O2)c(=O)[nH]1
• InChI: InChI=1S/C15H24N2O15P2/c18-5-9-14(22)8(20)4-13(30-9)31-34(26,27)32-33(24,25)28-6-10-7(19)3-12(29-10)17-2-1-11(21)16-15(17)23/h1-2,7-10,12-14,18-20,22H,3-6H2,(H,24,25)(H,26,27)(H,16,21,23)/t7-,8?,9?,10+,12?,13?,14?/m0/s1
• InChIKey: ZWMAWGJYMWKYHZ-KRJSOYOVSA-N
• XLogP: -2.74
• TPSA: 256.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	534.30
LogP ≤ 5	-2.74
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate (CID 10143373) is [4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate.

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

The canonical SMILES for [4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate is O=c1ccn(C2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC3CC(O)C(O)C(CO)O3)O2)c(=O)[nH]1.

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

The InChIKey is ZWMAWGJYMWKYHZ-KRJSOYOVSA-N. The full InChI is InChI=1S/C15H24N2O15P2/c18-5-9-14(22)8(20)4-13(30-9)31-34(26,27)32-33(24,25)28-6-10-7(19)3-12(29-10)17-2-1-11(21)16-15(17)23/h1-2,7-10,12-14,18-20,22H,3-6H2,(H,24,25)(H,26,27)(H,16,21,23)/t7-,8?,9?,10+,12?,13?,14?/m0/s1.

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

[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate has a molecular weight of 534.30 g/mol, XLogP of -2.74, 9 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate is sourced from PubChem (CID 10143373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).