N-azidoacetamide;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;2,3,4,5,6-pentahydroxyhexanal

C17H30N6O19P2 — CID 175439033

About N-azidoacetamide;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;2,3,4,5,6-pentahydroxyhexanal

N-azidoacetamide;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;2,3,4,5,6-pentahydroxyhexanal (PubChem CID 175439033) has the molecular formula C17H30N6O19P2 and a molecular weight of 684.40 g/mol. Its IUPAC name is N-azidoacetamide;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;2,3,4,5,6-pentahydroxyhexanal.

Molecular Properties

• Compound Name: N-azidoacetamide;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;2,3,4,5,6-pentahydroxyhexanal
• PubChem CID: 175439033
• Molecular Formula: C17H30N6O19P2
• Molecular Weight: 684.40 g/mol
• Exact Mass: 684.10
• IUPAC Name: N-azidoacetamide;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;2,3,4,5,6-pentahydroxyhexanal
• SMILES: CC(=O)NN=[N+]=[N-].O=CC(O)C(O)C(O)C(O)CO.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
• InChI: InChI=1S/C9H14N2O12P2.C6H12O6.C2H4N4O/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18;7-1-3(9)5(11)6(12)4(10)2-8;1-2(7)4-6-5-3/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18);1,3-6,8-12H,2H2;1H3,(H,4,7)/t4-,6-,7-,8-;;/m1../s1
• InChIKey: USGNQMYNYHKLCH-WFIJOQBCSA-N
• XLogP: -5.65
• TPSA: 413.92 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	684.40
LogP ≤ 5	-5.65
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-azidoacetamide;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;2,3,4,5,6-pentahydroxyhexanal?

The IUPAC name of N-azidoacetamide;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;2,3,4,5,6-pentahydroxyhexanal (CID 175439033) is N-azidoacetamide;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;2,3,4,5,6-pentahydroxyhexanal.

What is the SMILES notation for N-azidoacetamide;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;2,3,4,5,6-pentahydroxyhexanal?

The canonical SMILES for N-azidoacetamide;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;2,3,4,5,6-pentahydroxyhexanal is CC(=O)NN=[N+]=[N-].O=CC(O)C(O)C(O)C(O)CO.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1.

What is the InChIKey of N-azidoacetamide;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;2,3,4,5,6-pentahydroxyhexanal?

The InChIKey is USGNQMYNYHKLCH-WFIJOQBCSA-N. The full InChI is InChI=1S/C9H14N2O12P2.C6H12O6.C2H4N4O/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18;7-1-3(9)5(11)6(12)4(10)2-8;1-2(7)4-6-5-3/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18);1,3-6,8-12H,2H2;1H3,(H,4,7)/t4-,6-,7-,8-;;/m1../s1.

What are the key properties of N-azidoacetamide;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;2,3,4,5,6-pentahydroxyhexanal?

N-azidoacetamide;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;2,3,4,5,6-pentahydroxyhexanal has a molecular weight of 684.40 g/mol, XLogP of -5.65, 12 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-azidoacetamide;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;2,3,4,5,6-pentahydroxyhexanal is sourced from PubChem (CID 175439033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).