[[(2R,4S,5R)-3,4-dihydroxy-5-[2-(3-methoxyphenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]oxolan-2-yl]methoxy-oxidophosphoryl] [naphthalen-2-ylmethoxy(oxido)phosphoryl] phosphate

C29H27N3O15P3-3 — CID 58989397

About [[(2R,4S,5R)-3,4-dihydroxy-5-[2-(3-methoxyphenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]oxolan-2-yl]methoxy-oxidophosphoryl] [naphthalen-2-ylmethoxy(oxido)phosphoryl] phosphate

[[(2R,4S,5R)-3,4-dihydroxy-5-[2-(3-methoxyphenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]oxolan-2-yl]methoxy-oxidophosphoryl] [naphthalen-2-ylmethoxy(oxido)phosphoryl] phosphate (PubChem CID 58989397) has the molecular formula C29H27N3O15P3-3 and a molecular weight of 750.46 g/mol. Its IUPAC name is [[(2R,4S,5R)-3,4-dihydroxy-5-[2-(3-methoxyphenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]oxolan-2-yl]methoxy-oxidophosphoryl] [naphthalen-2-ylmethoxy(oxido)phosphoryl] phosphate.

Molecular Properties

• Compound Name: [[(2R,4S,5R)-3,4-dihydroxy-5-[2-(3-methoxyphenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]oxolan-2-yl]methoxy-oxidophosphoryl] [naphthalen-2-ylmethoxy(oxido)phosphoryl] phosphate
• PubChem CID: 58989397
• Molecular Formula: C29H27N3O15P3-3
• Molecular Weight: 750.46 g/mol
• Exact Mass: 750.07
• IUPAC Name: [[(2R,4S,5R)-3,4-dihydroxy-5-[2-(3-methoxyphenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]oxolan-2-yl]methoxy-oxidophosphoryl] [naphthalen-2-ylmethoxy(oxido)phosphoryl] phosphate
• SMILES: COc1cccc(-c2cn3c(=O)n([C@@H]4O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCc5ccc6ccccc6c5)C(O)[C@@H]4O)ccc3n2)c1
• InChI: InChI=1S/C29H30N3O15P3/c1-42-22-8-4-7-21(14-22)23-15-32-25(30-23)11-12-31(29(32)35)28-27(34)26(33)24(45-28)17-44-49(38,39)47-50(40,41)46-48(36,37)43-16-18-9-10-19-5-2-3-6-20(19)13-18/h2-15,24,26-28,33-34H,16-17H2,1H3,(H,36,37)(H,38,39)(H,40,41)/p-3/t24-,26?,27+,28-/m1/s1
• InChIKey: ZPRSLYJKEDSTCV-QSFPNKMLSA-K
• XLogP: 1.62
• TPSA: 255.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.46
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [[(2R,4S,5R)-3,4-dihydroxy-5-[2-(3-methoxyphenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]oxolan-2-yl]methoxy-oxidophosphoryl] [naphthalen-2-ylmethoxy(oxido)phosphoryl] phosphate?

The IUPAC name of [[(2R,4S,5R)-3,4-dihydroxy-5-[2-(3-methoxyphenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]oxolan-2-yl]methoxy-oxidophosphoryl] [naphthalen-2-ylmethoxy(oxido)phosphoryl] phosphate (CID 58989397) is [[(2R,4S,5R)-3,4-dihydroxy-5-[2-(3-methoxyphenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]oxolan-2-yl]methoxy-oxidophosphoryl] [naphthalen-2-ylmethoxy(oxido)phosphoryl] phosphate.

What is the SMILES notation for [[(2R,4S,5R)-3,4-dihydroxy-5-[2-(3-methoxyphenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]oxolan-2-yl]methoxy-oxidophosphoryl] [naphthalen-2-ylmethoxy(oxido)phosphoryl] phosphate?

The canonical SMILES for [[(2R,4S,5R)-3,4-dihydroxy-5-[2-(3-methoxyphenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]oxolan-2-yl]methoxy-oxidophosphoryl] [naphthalen-2-ylmethoxy(oxido)phosphoryl] phosphate is COc1cccc(-c2cn3c(=O)n([C@@H]4O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCc5ccc6ccccc6c5)C(O)[C@@H]4O)ccc3n2)c1.

What is the InChIKey of [[(2R,4S,5R)-3,4-dihydroxy-5-[2-(3-methoxyphenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]oxolan-2-yl]methoxy-oxidophosphoryl] [naphthalen-2-ylmethoxy(oxido)phosphoryl] phosphate?

The InChIKey is ZPRSLYJKEDSTCV-QSFPNKMLSA-K. The full InChI is InChI=1S/C29H30N3O15P3/c1-42-22-8-4-7-21(14-22)23-15-32-25(30-23)11-12-31(29(32)35)28-27(34)26(33)24(45-28)17-44-49(38,39)47-50(40,41)46-48(36,37)43-16-18-9-10-19-5-2-3-6-20(19)13-18/h2-15,24,26-28,33-34H,16-17H2,1H3,(H,36,37)(H,38,39)(H,40,41)/p-3/t24-,26?,27+,28-/m1/s1.

What are the key properties of [[(2R,4S,5R)-3,4-dihydroxy-5-[2-(3-methoxyphenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]oxolan-2-yl]methoxy-oxidophosphoryl] [naphthalen-2-ylmethoxy(oxido)phosphoryl] phosphate?

[[(2R,4S,5R)-3,4-dihydroxy-5-[2-(3-methoxyphenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]oxolan-2-yl]methoxy-oxidophosphoryl] [naphthalen-2-ylmethoxy(oxido)phosphoryl] phosphate has a molecular weight of 750.46 g/mol, XLogP of 1.62, 13 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [[(2R,4S,5R)-3,4-dihydroxy-5-[2-(3-methoxyphenyl)-5-oxoimidazo[1,2-c]pyrimidin-6-yl]oxolan-2-yl]methoxy-oxidophosphoryl] [naphthalen-2-ylmethoxy(oxido)phosphoryl] phosphate is sourced from PubChem (CID 58989397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).