[(1R)-1-[[(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phosphonooxyoxan-4-yl]oxypropanoyl]amino]ethyl]phosphonic acid

C13H26N2O13P2 — CID 10480279

About [(1R)-1-[[(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phosphonooxyoxan-4-yl]oxypropanoyl]amino]ethyl]phosphonic acid

[(1R)-1-[[(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phosphonooxyoxan-4-yl]oxypropanoyl]amino]ethyl]phosphonic acid (PubChem CID 10480279) has the molecular formula C13H26N2O13P2 and a molecular weight of 480.30 g/mol. Its IUPAC name is [(1R)-1-[[(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phosphonooxyoxan-4-yl]oxypropanoyl]amino]ethyl]phosphonic acid.

Molecular Properties

• Compound Name: [(1R)-1-[[(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phosphonooxyoxan-4-yl]oxypropanoyl]amino]ethyl]phosphonic acid
• PubChem CID: 10480279
• Molecular Formula: C13H26N2O13P2
• Molecular Weight: 480.30 g/mol
• Exact Mass: 480.09
• IUPAC Name: [(1R)-1-[[(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phosphonooxyoxan-4-yl]oxypropanoyl]amino]ethyl]phosphonic acid
• SMILES: CC(=O)N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)P(=O)(O)O
• InChI: InChI=1S/C13H26N2O13P2/c1-5(12(19)15-7(3)29(20,21)22)26-11-9(14-6(2)17)13(28-30(23,24)25)27-8(4-16)10(11)18/h5,7-11,13,16,18H,4H2,1-3H3,(H,14,17)(H,15,19)(H2,20,21,22)(H2,23,24,25)/t5-,7-,8-,9-,10-,11-,13-/m1/s1
• InChIKey: AUEAZZZWQSPLJB-RTJKPAGFSA-N
• XLogP: -2.91
• TPSA: 241.41 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.30
LogP ≤ 5	-2.91
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[[(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phosphonooxyoxan-4-yl]oxypropanoyl]amino]ethyl]phosphonic acid?

The IUPAC name of [(1R)-1-[[(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phosphonooxyoxan-4-yl]oxypropanoyl]amino]ethyl]phosphonic acid (CID 10480279) is [(1R)-1-[[(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phosphonooxyoxan-4-yl]oxypropanoyl]amino]ethyl]phosphonic acid.

What is the SMILES notation for [(1R)-1-[[(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phosphonooxyoxan-4-yl]oxypropanoyl]amino]ethyl]phosphonic acid?

The canonical SMILES for [(1R)-1-[[(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phosphonooxyoxan-4-yl]oxypropanoyl]amino]ethyl]phosphonic acid is CC(=O)N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)P(=O)(O)O.

What is the InChIKey of [(1R)-1-[[(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phosphonooxyoxan-4-yl]oxypropanoyl]amino]ethyl]phosphonic acid?

The InChIKey is AUEAZZZWQSPLJB-RTJKPAGFSA-N. The full InChI is InChI=1S/C13H26N2O13P2/c1-5(12(19)15-7(3)29(20,21)22)26-11-9(14-6(2)17)13(28-30(23,24)25)27-8(4-16)10(11)18/h5,7-11,13,16,18H,4H2,1-3H3,(H,14,17)(H,15,19)(H2,20,21,22)(H2,23,24,25)/t5-,7-,8-,9-,10-,11-,13-/m1/s1.

What are the key properties of [(1R)-1-[[(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phosphonooxyoxan-4-yl]oxypropanoyl]amino]ethyl]phosphonic acid?

[(1R)-1-[[(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phosphonooxyoxan-4-yl]oxypropanoyl]amino]ethyl]phosphonic acid has a molecular weight of 480.30 g/mol, XLogP of -2.91, 9 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-[[(2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phosphonooxyoxan-4-yl]oxypropanoyl]amino]ethyl]phosphonic acid is sourced from PubChem (CID 10480279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).