hydroxy-[(2R,3R,4R,5R)-5-(hydroxymethyl)-2-(8-oxoimidazo[1,2-b]pyridazin-5-yl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-oxophosphanium

C20H33N3O7PSi+ — CID 142610435

IUPAChydroxy-[(2R,3R,4R,5R)-5-(hydroxymethyl)-2-(8-oxoimidazo[1,2-b]pyridazin-5-yl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-oxophosphanium
SMILESCC(C)[Si](O[C@H]1[C@@H](O[P+](=O)O)[C@H](n2ccc(=O)c3nccn32)O[C@@H]1CO)(C(C)C)C(C)C
InChIInChI=1S/C20H32N3O7PSi/c1-12(2)32(13(3)4,14(5)6)30-17-16(11-24)28-20(18(17)29-31(26)27)23-9-7-15(25)19-21-8-10-22(19)23/h7-10,12-14,16-18,20,24H,11H2,1-6H3/p+1/t16-,17-,18-,20-/m1/s1
InChIKeyLTGDOPGHQJXHDW-SOAMZJECSA-O
MW486.56 g/mol
LogP2.98
Rot. Bonds9

About hydroxy-[(2R,3R,4R,5R)-5-(hydroxymethyl)-2-(8-oxoimidazo[1,2-b]pyridazin-5-yl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-oxophosphanium

hydroxy-[(2R,3R,4R,5R)-5-(hydroxymethyl)-2-(8-oxoimidazo[1,2-b]pyridazin-5-yl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-oxophosphanium (PubChem CID 142610435) has the molecular formula C20H33N3O7PSi+ and a molecular weight of 486.56 g/mol. Its IUPAC name is hydroxy-[(2R,3R,4R,5R)-5-(hydroxymethyl)-2-(8-oxoimidazo[1,2-b]pyridazin-5-yl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[(2R,3R,4R,5R)-5-(hydroxymethyl)-2-(8-oxoimidazo[1,2-b]pyridazin-5-yl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-oxophosphanium
PubChem CID142610435
Molecular FormulaC20H33N3O7PSi+
Molecular Weight486.56 g/mol
Exact Mass486.18
IUPAC Namehydroxy-[(2R,3R,4R,5R)-5-(hydroxymethyl)-2-(8-oxoimidazo[1,2-b]pyridazin-5-yl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-oxophosphanium
SMILESCC(C)[Si](O[C@H]1[C@@H](O[P+](=O)O)[C@H](n2ccc(=O)c3nccn32)O[C@@H]1CO)(C(C)C)C(C)C
InChIInChI=1S/C20H32N3O7PSi/c1-12(2)32(13(3)4,14(5)6)30-17-16(11-24)28-20(18(17)29-31(26)27)23-9-7-15(25)19-21-8-10-22(19)23/h7-10,12-14,16-18,20,24H,11H2,1-6H3/p+1/t16-,17-,18-,20-/m1/s1
InChIKeyLTGDOPGHQJXHDW-SOAMZJECSA-O
XLogP2.98
TPSA124.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.56
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-[(2R,3R,4R,5R)-5-(hydroxymethyl)-2-(8-oxoimidazo[1,2-b]pyridazin-5-yl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-oxophosphanium?
The IUPAC name of hydroxy-[(2R,3R,4R,5R)-5-(hydroxymethyl)-2-(8-oxoimidazo[1,2-b]pyridazin-5-yl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-oxophosphanium (CID 142610435) is hydroxy-[(2R,3R,4R,5R)-5-(hydroxymethyl)-2-(8-oxoimidazo[1,2-b]pyridazin-5-yl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-oxophosphanium.
What is the SMILES notation for hydroxy-[(2R,3R,4R,5R)-5-(hydroxymethyl)-2-(8-oxoimidazo[1,2-b]pyridazin-5-yl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-oxophosphanium?
The canonical SMILES for hydroxy-[(2R,3R,4R,5R)-5-(hydroxymethyl)-2-(8-oxoimidazo[1,2-b]pyridazin-5-yl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-oxophosphanium is CC(C)[Si](O[C@H]1[C@@H](O[P+](=O)O)[C@H](n2ccc(=O)c3nccn32)O[C@@H]1CO)(C(C)C)C(C)C.
What is the InChIKey of hydroxy-[(2R,3R,4R,5R)-5-(hydroxymethyl)-2-(8-oxoimidazo[1,2-b]pyridazin-5-yl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-oxophosphanium?
The InChIKey is LTGDOPGHQJXHDW-SOAMZJECSA-O. The full InChI is InChI=1S/C20H32N3O7PSi/c1-12(2)32(13(3)4,14(5)6)30-17-16(11-24)28-20(18(17)29-31(26)27)23-9-7-15(25)19-21-8-10-22(19)23/h7-10,12-14,16-18,20,24H,11H2,1-6H3/p+1/t16-,17-,18-,20-/m1/s1.
What are the key properties of hydroxy-[(2R,3R,4R,5R)-5-(hydroxymethyl)-2-(8-oxoimidazo[1,2-b]pyridazin-5-yl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-oxophosphanium?
hydroxy-[(2R,3R,4R,5R)-5-(hydroxymethyl)-2-(8-oxoimidazo[1,2-b]pyridazin-5-yl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-oxophosphanium has a molecular weight of 486.56 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(2R,3R,4R,5R)-5-(hydroxymethyl)-2-(8-oxoimidazo[1,2-b]pyridazin-5-yl)-4-tri(propan-2-yl)silyloxyoxolan-3-yl]oxy-oxophosphanium is sourced from PubChem (CID 142610435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).