N-[(4aR,6S,7S,8R,8aR)-8-hydroxy-6-[4-[hydroxy(oxido)amino]phenoxy]-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide

C17H23N2O8- — CID 163165466

About N-[(4aR,6S,7S,8R,8aR)-8-hydroxy-6-[4-[hydroxy(oxido)amino]phenoxy]-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide

N-[(4aR,6S,7S,8R,8aR)-8-hydroxy-6-[4-[hydroxy(oxido)amino]phenoxy]-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide (PubChem CID 163165466) has the molecular formula C17H23N2O8- and a molecular weight of 383.38 g/mol. Its IUPAC name is N-[(4aR,6S,7S,8R,8aR)-8-hydroxy-6-[4-[hydroxy(oxido)amino]phenoxy]-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide.

Molecular Properties

• Compound Name: N-[(4aR,6S,7S,8R,8aR)-8-hydroxy-6-[4-[hydroxy(oxido)amino]phenoxy]-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
• PubChem CID: 163165466
• Molecular Formula: C17H23N2O8-
• Molecular Weight: 383.38 g/mol
• Exact Mass: 383.15
• IUPAC Name: N-[(4aR,6S,7S,8R,8aR)-8-hydroxy-6-[4-[hydroxy(oxido)amino]phenoxy]-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
• SMILES: CC(=O)N[C@@H]1[C@H](Oc2ccc(N([O-])O)cc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O
• InChI: InChI=1S/C17H23N2O8/c1-9(20)18-13-14(21)15-12(8-24-17(2,3)27-15)26-16(13)25-11-6-4-10(5-7-11)19(22)23/h4-7,12-16,21-22H,8H2,1-3H3,(H,18,20)/q-1/t12-,13+,14-,15+,16-/m1/s1
• InChIKey: OLTHPJPIHSNAFY-DGADGQDISA-N
• XLogP: 0.50
• TPSA: 132.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.38
LogP ≤ 5	0.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4aR,6S,7S,8R,8aR)-8-hydroxy-6-[4-[hydroxy(oxido)amino]phenoxy]-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?

The IUPAC name of N-[(4aR,6S,7S,8R,8aR)-8-hydroxy-6-[4-[hydroxy(oxido)amino]phenoxy]-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide (CID 163165466) is N-[(4aR,6S,7S,8R,8aR)-8-hydroxy-6-[4-[hydroxy(oxido)amino]phenoxy]-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide.

What is the SMILES notation for N-[(4aR,6S,7S,8R,8aR)-8-hydroxy-6-[4-[hydroxy(oxido)amino]phenoxy]-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?

The canonical SMILES for N-[(4aR,6S,7S,8R,8aR)-8-hydroxy-6-[4-[hydroxy(oxido)amino]phenoxy]-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide is CC(=O)N[C@@H]1[C@H](Oc2ccc(N([O-])O)cc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@@H]1O.

What is the InChIKey of N-[(4aR,6S,7S,8R,8aR)-8-hydroxy-6-[4-[hydroxy(oxido)amino]phenoxy]-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?

The InChIKey is OLTHPJPIHSNAFY-DGADGQDISA-N. The full InChI is InChI=1S/C17H23N2O8/c1-9(20)18-13-14(21)15-12(8-24-17(2,3)27-15)26-16(13)25-11-6-4-10(5-7-11)19(22)23/h4-7,12-16,21-22H,8H2,1-3H3,(H,18,20)/q-1/t12-,13+,14-,15+,16-/m1/s1.

What are the key properties of N-[(4aR,6S,7S,8R,8aR)-8-hydroxy-6-[4-[hydroxy(oxido)amino]phenoxy]-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?

N-[(4aR,6S,7S,8R,8aR)-8-hydroxy-6-[4-[hydroxy(oxido)amino]phenoxy]-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide has a molecular weight of 383.38 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4aR,6S,7S,8R,8aR)-8-hydroxy-6-[4-[hydroxy(oxido)amino]phenoxy]-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide is sourced from PubChem (CID 163165466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).