propan-2-yl (2R,4R,5S)-5-[[[(2R,4R,5S)-5-(azidomethyl)-4-hydroxyoxolane-2-carbonyl]amino]methyl]-4-hydroxyoxolane-2-carboxylate

C15H24N4O7 — CID 139066032

About propan-2-yl (2R,4R,5S)-5-[[[(2R,4R,5S)-5-(azidomethyl)-4-hydroxyoxolane-2-carbonyl]amino]methyl]-4-hydroxyoxolane-2-carboxylate

propan-2-yl (2R,4R,5S)-5-[[[(2R,4R,5S)-5-(azidomethyl)-4-hydroxyoxolane-2-carbonyl]amino]methyl]-4-hydroxyoxolane-2-carboxylate (PubChem CID 139066032) has the molecular formula C15H24N4O7 and a molecular weight of 372.38 g/mol. Its IUPAC name is propan-2-yl (2R,4R,5S)-5-[[[(2R,4R,5S)-5-(azidomethyl)-4-hydroxyoxolane-2-carbonyl]amino]methyl]-4-hydroxyoxolane-2-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl (2R,4R,5S)-5-[[[(2R,4R,5S)-5-(azidomethyl)-4-hydroxyoxolane-2-carbonyl]amino]methyl]-4-hydroxyoxolane-2-carboxylate
• PubChem CID: 139066032
• Molecular Formula: C15H24N4O7
• Molecular Weight: 372.38 g/mol
• Exact Mass: 372.16
• IUPAC Name: propan-2-yl (2R,4R,5S)-5-[[[(2R,4R,5S)-5-(azidomethyl)-4-hydroxyoxolane-2-carbonyl]amino]methyl]-4-hydroxyoxolane-2-carboxylate
• SMILES: CC(C)OC(=O)[C@H]1C[C@@H](O)[C@H](CNC(=O)[C@H]2C[C@@H](O)[C@H](CN=[N+]=[N-])O2)O1
• InChI: InChI=1S/C15H24N4O7/c1-7(2)24-15(23)11-4-9(21)12(26-11)5-17-14(22)10-3-8(20)13(25-10)6-18-19-16/h7-13,20-21H,3-6H2,1-2H3,(H,17,22)/t8-,9-,10-,11-,12+,13+/m1/s1
• InChIKey: NMOAIYOAVWNTGH-PTEOKISQSA-N
• XLogP: -0.60
• TPSA: 163.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.38
LogP ≤ 5	-0.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R,4R,5S)-5-[[[(2R,4R,5S)-5-(azidomethyl)-4-hydroxyoxolane-2-carbonyl]amino]methyl]-4-hydroxyoxolane-2-carboxylate?

The IUPAC name of propan-2-yl (2R,4R,5S)-5-[[[(2R,4R,5S)-5-(azidomethyl)-4-hydroxyoxolane-2-carbonyl]amino]methyl]-4-hydroxyoxolane-2-carboxylate (CID 139066032) is propan-2-yl (2R,4R,5S)-5-[[[(2R,4R,5S)-5-(azidomethyl)-4-hydroxyoxolane-2-carbonyl]amino]methyl]-4-hydroxyoxolane-2-carboxylate.

What is the SMILES notation for propan-2-yl (2R,4R,5S)-5-[[[(2R,4R,5S)-5-(azidomethyl)-4-hydroxyoxolane-2-carbonyl]amino]methyl]-4-hydroxyoxolane-2-carboxylate?

The canonical SMILES for propan-2-yl (2R,4R,5S)-5-[[[(2R,4R,5S)-5-(azidomethyl)-4-hydroxyoxolane-2-carbonyl]amino]methyl]-4-hydroxyoxolane-2-carboxylate is CC(C)OC(=O)[C@H]1C[C@@H](O)[C@H](CNC(=O)[C@H]2C[C@@H](O)[C@H](CN=[N+]=[N-])O2)O1.

What is the InChIKey of propan-2-yl (2R,4R,5S)-5-[[[(2R,4R,5S)-5-(azidomethyl)-4-hydroxyoxolane-2-carbonyl]amino]methyl]-4-hydroxyoxolane-2-carboxylate?

The InChIKey is NMOAIYOAVWNTGH-PTEOKISQSA-N. The full InChI is InChI=1S/C15H24N4O7/c1-7(2)24-15(23)11-4-9(21)12(26-11)5-17-14(22)10-3-8(20)13(25-10)6-18-19-16/h7-13,20-21H,3-6H2,1-2H3,(H,17,22)/t8-,9-,10-,11-,12+,13+/m1/s1.

What are the key properties of propan-2-yl (2R,4R,5S)-5-[[[(2R,4R,5S)-5-(azidomethyl)-4-hydroxyoxolane-2-carbonyl]amino]methyl]-4-hydroxyoxolane-2-carboxylate?

propan-2-yl (2R,4R,5S)-5-[[[(2R,4R,5S)-5-(azidomethyl)-4-hydroxyoxolane-2-carbonyl]amino]methyl]-4-hydroxyoxolane-2-carboxylate has a molecular weight of 372.38 g/mol, XLogP of -0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl (2R,4R,5S)-5-[[[(2R,4R,5S)-5-(azidomethyl)-4-hydroxyoxolane-2-carbonyl]amino]methyl]-4-hydroxyoxolane-2-carboxylate is sourced from PubChem (CID 139066032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).