[2-[[(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxyphenoxy]-[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]imino-oxidophosphanium

C24H31N6O11P — CID 141263589

About [2-[[(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxyphenoxy]-[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]imino-oxidophosphanium

[2-[[(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxyphenoxy]-[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]imino-oxidophosphanium (PubChem CID 141263589) has the molecular formula C24H31N6O11P and a molecular weight of 610.52 g/mol. Its IUPAC name is [2-[[(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxyphenoxy]-[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]imino-oxidophosphanium.

Molecular Properties

• Compound Name: [2-[[(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxyphenoxy]-[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]imino-oxidophosphanium
• PubChem CID: 141263589
• Molecular Formula: C24H31N6O11P
• Molecular Weight: 610.52 g/mol
• Exact Mass: 610.18
• IUPAC Name: [2-[[(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxyphenoxy]-[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]imino-oxidophosphanium
• SMILES: CCOC(=O)[C@H](CC(C)C)/N=[P+](\[O-])Oc1ccc(OC)cc1OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C24H31N6O11P/c1-5-38-22(34)15(10-13(2)3)27-42(36)41-16-7-6-14(37-4)11-17(16)39-12-24(28-29-25)20(33)19(32)21(40-24)30-9-8-18(31)26-23(30)35/h6-9,11,13,15,19-21,32-33H,5,10,12H2,1-4H3,(H,26,31,35)/t15-,19+,20-,21+,24+/m0/s1
• InChIKey: JJWWIMUIFGOQNX-DGRRWGOCSA-N
• XLogP: 1.09
• TPSA: 242.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.52
LogP ≤ 5	1.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

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 [2-[[(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxyphenoxy]-[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]imino-oxidophosphanium?

The IUPAC name of [2-[[(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxyphenoxy]-[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]imino-oxidophosphanium (CID 141263589) is [2-[[(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxyphenoxy]-[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]imino-oxidophosphanium.

What is the SMILES notation for [2-[[(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxyphenoxy]-[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]imino-oxidophosphanium?

The canonical SMILES for [2-[[(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxyphenoxy]-[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]imino-oxidophosphanium is CCOC(=O)[C@H](CC(C)C)/N=[P+](\[O-])Oc1ccc(OC)cc1OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O.

What is the InChIKey of [2-[[(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxyphenoxy]-[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]imino-oxidophosphanium?

The InChIKey is JJWWIMUIFGOQNX-DGRRWGOCSA-N. The full InChI is InChI=1S/C24H31N6O11P/c1-5-38-22(34)15(10-13(2)3)27-42(36)41-16-7-6-14(37-4)11-17(16)39-12-24(28-29-25)20(33)19(32)21(40-24)30-9-8-18(31)26-23(30)35/h6-9,11,13,15,19-21,32-33H,5,10,12H2,1-4H3,(H,26,31,35)/t15-,19+,20-,21+,24+/m0/s1.

What are the key properties of [2-[[(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxyphenoxy]-[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]imino-oxidophosphanium?

[2-[[(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxyphenoxy]-[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]imino-oxidophosphanium has a molecular weight of 610.52 g/mol, XLogP of 1.09, 13 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[(2R,3S,4R,5R)-2-azido-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-4-methoxyphenoxy]-[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]imino-oxidophosphanium is sourced from PubChem (CID 141263589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).