[(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)-naphthalen-1-yloxyamino]-oxophosphanium

C30H30N6O10P+ — CID 89266906

About [(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)-naphthalen-1-yloxyamino]-oxophosphanium

[(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)-naphthalen-1-yloxyamino]-oxophosphanium (PubChem CID 89266906) has the molecular formula C30H30N6O10P+ and a molecular weight of 665.58 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)-naphthalen-1-yloxyamino]-oxophosphanium.

Molecular Properties

• Compound Name: [(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)-naphthalen-1-yloxyamino]-oxophosphanium
• PubChem CID: 89266906
• Molecular Formula: C30H30N6O10P+
• Molecular Weight: 665.58 g/mol
• Exact Mass: 665.18
• IUPAC Name: [(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)-naphthalen-1-yloxyamino]-oxophosphanium
• SMILES: CCOC(=O)C(Cc1ccccc1)N(Oc1cccc2ccccc12)[P+](=O)OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C30H29N6O10P/c1-2-43-28(40)22(17-19-9-4-3-5-10-19)36(46-23-14-8-12-20-11-6-7-13-21(20)23)47(42)44-18-30(33-34-31)26(39)25(38)27(45-30)35-16-15-24(37)32-29(35)41/h3-16,22,25-27,38-39H,2,17-18H2,1H3/p+1/t22?,25-,26+,27-,30-/m1/s1
• InChIKey: FYQZCBPDUJVWMI-LZMGSLAPSA-O
• XLogP: 3.09
• TPSA: 218.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.58
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)-naphthalen-1-yloxyamino]-oxophosphanium?

The IUPAC name of [(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)-naphthalen-1-yloxyamino]-oxophosphanium (CID 89266906) is [(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)-naphthalen-1-yloxyamino]-oxophosphanium.

What is the SMILES notation for [(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)-naphthalen-1-yloxyamino]-oxophosphanium?

The canonical SMILES for [(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)-naphthalen-1-yloxyamino]-oxophosphanium is CCOC(=O)C(Cc1ccccc1)N(Oc1cccc2ccccc12)[P+](=O)OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O.

What is the InChIKey of [(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)-naphthalen-1-yloxyamino]-oxophosphanium?

The InChIKey is FYQZCBPDUJVWMI-LZMGSLAPSA-O. The full InChI is InChI=1S/C30H29N6O10P/c1-2-43-28(40)22(17-19-9-4-3-5-10-19)36(46-23-14-8-12-20-11-6-7-13-21(20)23)47(42)44-18-30(33-34-31)26(39)25(38)27(45-30)35-16-15-24(37)32-29(35)41/h3-16,22,25-27,38-39H,2,17-18H2,1H3/p+1/t22?,25-,26+,27-,30-/m1/s1.

What are the key properties of [(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)-naphthalen-1-yloxyamino]-oxophosphanium?

[(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)-naphthalen-1-yloxyamino]-oxophosphanium has a molecular weight of 665.58 g/mol, XLogP of 3.09, 13 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)-naphthalen-1-yloxyamino]-oxophosphanium is sourced from PubChem (CID 89266906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).