(2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid

C19H33N2O16P — CID 155802555

About (2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid

(2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid (PubChem CID 155802555) has the molecular formula C19H33N2O16P and a molecular weight of 576.45 g/mol. Its IUPAC name is (2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid.

Molecular Properties

• Compound Name: (2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid
• PubChem CID: 155802555
• Molecular Formula: C19H33N2O16P
• Molecular Weight: 576.45 g/mol
• Exact Mass: 576.16
• IUPAC Name: (2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid
• SMILES: CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O[C@H](C)C(=O)O
• InChI: InChI=1S/C19H33N2O16P/c1-6(17(27)28)34-16-12(21-8(3)24)19(36-10(13(16)25)5-33-38(30,31)32)37-15-9(4-22)35-18(29)11(14(15)26)20-7(2)23/h6,9-16,18-19,22,25-26,29H,4-5H2,1-3H3,(H,20,23)(H,21,24)(H,27,28)(H2,30,31,32)/t6-,9-,10-,11-,12-,13-,14-,15-,16-,18?,19+/m1/s1
• InChIKey: XQLZNTOJYKUHKQ-NNRGKNABSA-N
• XLogP: -4.50
• TPSA: 280.10 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	576.45
LogP ≤ 5	-4.50
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid?

The IUPAC name of (2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid (CID 155802555) is (2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid.

What is the SMILES notation for (2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid?

The canonical SMILES for (2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid is CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O[C@H](C)C(=O)O.

What is the InChIKey of (2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid?

The InChIKey is XQLZNTOJYKUHKQ-NNRGKNABSA-N. The full InChI is InChI=1S/C19H33N2O16P/c1-6(17(27)28)34-16-12(21-8(3)24)19(36-10(13(16)25)5-33-38(30,31)32)37-15-9(4-22)35-18(29)11(14(15)26)20-7(2)23/h6,9-16,18-19,22,25-26,29H,4-5H2,1-3H3,(H,20,23)(H,21,24)(H,27,28)(H2,30,31,32)/t6-,9-,10-,11-,12-,13-,14-,15-,16-,18?,19+/m1/s1.

What are the key properties of (2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid?

(2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid has a molecular weight of 576.45 g/mol, XLogP of -4.50, 11 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid is sourced from PubChem (CID 155802555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).