2-[(3R)-3-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-oxo-2,3-dihydrofuro[3,2-g]chromen-7-yl]propyl]guanidine

C19H25N3O6 — CID 162793500

About 2-[(3R)-3-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-oxo-2,3-dihydrofuro[3,2-g]chromen-7-yl]propyl]guanidine

2-[(3R)-3-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-oxo-2,3-dihydrofuro[3,2-g]chromen-7-yl]propyl]guanidine (PubChem CID 162793500) has the molecular formula C19H25N3O6 and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-[(3R)-3-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-oxo-2,3-dihydrofuro[3,2-g]chromen-7-yl]propyl]guanidine.

Molecular Properties

• Compound Name: 2-[(3R)-3-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-oxo-2,3-dihydrofuro[3,2-g]chromen-7-yl]propyl]guanidine
• PubChem CID: 162793500
• Molecular Formula: C19H25N3O6
• Molecular Weight: 391.42 g/mol
• Exact Mass: 391.17
• IUPAC Name: 2-[(3R)-3-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-oxo-2,3-dihydrofuro[3,2-g]chromen-7-yl]propyl]guanidine
• SMILES: COc1c2c(cc3oc([C@H](O)CCN=C(N)N)cc(=O)c13)O[C@@H](C(C)(C)O)C2
• InChI: InChI=1S/C19H25N3O6/c1-19(2,25)15-6-9-12(28-15)8-14-16(17(9)26-3)11(24)7-13(27-14)10(23)4-5-22-18(20)21/h7-8,10,15,23,25H,4-6H2,1-3H3,(H4,20,21,22)/t10-,15-/m1/s1
• InChIKey: ROQYMKZRAFQPBX-MEBBXXQBSA-N
• XLogP: 0.57
• TPSA: 153.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.42
LogP ≤ 5	0.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-oxo-2,3-dihydrofuro[3,2-g]chromen-7-yl]propyl]guanidine?

The IUPAC name of 2-[(3R)-3-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-oxo-2,3-dihydrofuro[3,2-g]chromen-7-yl]propyl]guanidine (CID 162793500) is 2-[(3R)-3-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-oxo-2,3-dihydrofuro[3,2-g]chromen-7-yl]propyl]guanidine.

What is the SMILES notation for 2-[(3R)-3-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-oxo-2,3-dihydrofuro[3,2-g]chromen-7-yl]propyl]guanidine?

The canonical SMILES for 2-[(3R)-3-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-oxo-2,3-dihydrofuro[3,2-g]chromen-7-yl]propyl]guanidine is COc1c2c(cc3oc([C@H](O)CCN=C(N)N)cc(=O)c13)O[C@@H](C(C)(C)O)C2.

What is the InChIKey of 2-[(3R)-3-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-oxo-2,3-dihydrofuro[3,2-g]chromen-7-yl]propyl]guanidine?

The InChIKey is ROQYMKZRAFQPBX-MEBBXXQBSA-N. The full InChI is InChI=1S/C19H25N3O6/c1-19(2,25)15-6-9-12(28-15)8-14-16(17(9)26-3)11(24)7-13(27-14)10(23)4-5-22-18(20)21/h7-8,10,15,23,25H,4-6H2,1-3H3,(H4,20,21,22)/t10-,15-/m1/s1.

What are the key properties of 2-[(3R)-3-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-oxo-2,3-dihydrofuro[3,2-g]chromen-7-yl]propyl]guanidine?

2-[(3R)-3-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-oxo-2,3-dihydrofuro[3,2-g]chromen-7-yl]propyl]guanidine has a molecular weight of 391.42 g/mol, XLogP of 0.57, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-3-hydroxy-3-[(2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-5-oxo-2,3-dihydrofuro[3,2-g]chromen-7-yl]propyl]guanidine is sourced from PubChem (CID 162793500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).