[[(3R)-6-(azidomethyl)-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl] [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

C16H25N5O16P2 — CID 89271056

About [[(3R)-6-(azidomethyl)-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl] [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

[[(3R)-6-(azidomethyl)-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl] [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate (PubChem CID 89271056) has the molecular formula C16H25N5O16P2 and a molecular weight of 605.34 g/mol. Its IUPAC name is [[(3R)-6-(azidomethyl)-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl] [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate.

Molecular Properties

• Compound Name: [[(3R)-6-(azidomethyl)-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl] [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
• PubChem CID: 89271056
• Molecular Formula: C16H25N5O16P2
• Molecular Weight: 605.34 g/mol
• Exact Mass: 605.08
• IUPAC Name: [[(3R)-6-(azidomethyl)-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl] [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
• SMILES: [N-]=[N+]=NCC1OC(COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C(O)C2O)[C@H](O)C(O)C1O
• InChI: InChI=1S/C16H25N5O16P2/c17-20-18-3-6-10(23)13(26)11(24)7(35-6)4-33-38(29,30)37-39(31,32)34-5-8-12(25)14(27)15(36-8)21-2-1-9(22)19-16(21)28/h1-2,6-8,10-15,23-27H,3-5H2,(H,29,30)(H,31,32)(H,19,22,28)/t6?,7?,8-,10?,11+,12?,13?,14?,15-/m1/s1
• InChIKey: DLROQBXNSDSKCF-MWNNTNKHSA-N
• XLogP: -3.43
• TPSA: 325.52 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	605.34
LogP ≤ 5	-3.43
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [[(3R)-6-(azidomethyl)-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl] [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate?

The IUPAC name of [[(3R)-6-(azidomethyl)-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl] [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate (CID 89271056) is [[(3R)-6-(azidomethyl)-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl] [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate.

What is the SMILES notation for [[(3R)-6-(azidomethyl)-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl] [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate?

The canonical SMILES for [[(3R)-6-(azidomethyl)-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl] [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate is [N-]=[N+]=NCC1OC(COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C(O)C2O)[C@H](O)C(O)C1O.

What is the InChIKey of [[(3R)-6-(azidomethyl)-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl] [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate?

The InChIKey is DLROQBXNSDSKCF-MWNNTNKHSA-N. The full InChI is InChI=1S/C16H25N5O16P2/c17-20-18-3-6-10(23)13(26)11(24)7(35-6)4-33-38(29,30)37-39(31,32)34-5-8-12(25)14(27)15(36-8)21-2-1-9(22)19-16(21)28/h1-2,6-8,10-15,23-27H,3-5H2,(H,29,30)(H,31,32)(H,19,22,28)/t6?,7?,8-,10?,11+,12?,13?,14?,15-/m1/s1.

What are the key properties of [[(3R)-6-(azidomethyl)-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl] [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate?

[[(3R)-6-(azidomethyl)-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl] [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate has a molecular weight of 605.34 g/mol, XLogP of -3.43, 11 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [[(3R)-6-(azidomethyl)-3,4,5-trihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl] [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate is sourced from PubChem (CID 89271056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).