[2-[(2R,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethylhydrazinylidene]azanide

C16H24N3O10- — CID 163171736

About [2-[(2R,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethylhydrazinylidene]azanide

[2-[(2R,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethylhydrazinylidene]azanide (PubChem CID 163171736) has the molecular formula C16H24N3O10- and a molecular weight of 418.38 g/mol. Its IUPAC name is [2-[(2R,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethylhydrazinylidene]azanide.

Molecular Properties

• Compound Name: [2-[(2R,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethylhydrazinylidene]azanide
• PubChem CID: 163171736
• Molecular Formula: C16H24N3O10-
• Molecular Weight: 418.38 g/mol
• Exact Mass: 418.15
• IUPAC Name: [2-[(2R,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethylhydrazinylidene]azanide
• SMILES: CC(=O)OC[C@@H]1O[C@@H](OCCNN=[N-])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
• InChI: InChI=1S/C16H24N3O10/c1-8(20)25-7-12-13(26-9(2)21)14(27-10(3)22)15(28-11(4)23)16(29-12)24-6-5-18-19-17/h12-16H,5-7H2,1-4H3,(H-,17,18)/q-1/t12-,13-,14-,15-,16+/m0/s1
• InChIKey: PABCDLRDRLESEN-UVPYHEFZSA-N
• XLogP: -0.39
• TPSA: 170.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.38
LogP ≤ 5	-0.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[(2R,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethylhydrazinylidene]azanide?

The IUPAC name of [2-[(2R,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethylhydrazinylidene]azanide (CID 163171736) is [2-[(2R,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethylhydrazinylidene]azanide.

What is the SMILES notation for [2-[(2R,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethylhydrazinylidene]azanide?

The canonical SMILES for [2-[(2R,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethylhydrazinylidene]azanide is CC(=O)OC[C@@H]1O[C@@H](OCCNN=[N-])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.

What is the InChIKey of [2-[(2R,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethylhydrazinylidene]azanide?

The InChIKey is PABCDLRDRLESEN-UVPYHEFZSA-N. The full InChI is InChI=1S/C16H24N3O10/c1-8(20)25-7-12-13(26-9(2)21)14(27-10(3)22)15(28-11(4)23)16(29-12)24-6-5-18-19-17/h12-16H,5-7H2,1-4H3,(H-,17,18)/q-1/t12-,13-,14-,15-,16+/m0/s1.

What are the key properties of [2-[(2R,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethylhydrazinylidene]azanide?

[2-[(2R,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethylhydrazinylidene]azanide has a molecular weight of 418.38 g/mol, XLogP of -0.39, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2R,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethylhydrazinylidene]azanide is sourced from PubChem (CID 163171736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).