(2S,4S,5R,6R)-2,4-dihydroxy-5-[[2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

C17H29NO15 — CID 102275227

About (2S,4S,5R,6R)-2,4-dihydroxy-5-[[2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

(2S,4S,5R,6R)-2,4-dihydroxy-5-[[2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (PubChem CID 102275227) has the molecular formula C17H29NO15 and a molecular weight of 487.41 g/mol. Its IUPAC name is (2S,4S,5R,6R)-2,4-dihydroxy-5-[[2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2S,4S,5R,6R)-2,4-dihydroxy-5-[[2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
• PubChem CID: 102275227
• Molecular Formula: C17H29NO15
• Molecular Weight: 487.41 g/mol
• Exact Mass: 487.15
• IUPAC Name: (2S,4S,5R,6R)-2,4-dihydroxy-5-[[2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
• SMILES: O=C(CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](O)(C(=O)O)C[C@@H]1O
• InChI: InChI=1S/C17H29NO15/c19-2-6(22)10(24)14-9(5(21)1-17(30,33-14)16(28)29)18-8(23)4-31-15-13(27)12(26)11(25)7(3-20)32-15/h5-7,9-15,19-22,24-27,30H,1-4H2,(H,18,23)(H,28,29)/t5-,6+,7+,9+,10+,11-,12-,13+,14+,15-,17-/m0/s1
• InChIKey: VWPOYQXTUHXVPR-SLRKMXHUSA-N
• XLogP: -7.08
• TPSA: 276.16 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	487.41
LogP ≤ 5	-7.08
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R,6R)-2,4-dihydroxy-5-[[2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

The IUPAC name of (2S,4S,5R,6R)-2,4-dihydroxy-5-[[2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CID 102275227) is (2S,4S,5R,6R)-2,4-dihydroxy-5-[[2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.

What is the SMILES notation for (2S,4S,5R,6R)-2,4-dihydroxy-5-[[2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

The canonical SMILES for (2S,4S,5R,6R)-2,4-dihydroxy-5-[[2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is O=C(CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](O)(C(=O)O)C[C@@H]1O.

What is the InChIKey of (2S,4S,5R,6R)-2,4-dihydroxy-5-[[2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

The InChIKey is VWPOYQXTUHXVPR-SLRKMXHUSA-N. The full InChI is InChI=1S/C17H29NO15/c19-2-6(22)10(24)14-9(5(21)1-17(30,33-14)16(28)29)18-8(23)4-31-15-13(27)12(26)11(25)7(3-20)32-15/h5-7,9-15,19-22,24-27,30H,1-4H2,(H,18,23)(H,28,29)/t5-,6+,7+,9+,10+,11-,12-,13+,14+,15-,17-/m0/s1.

What are the key properties of (2S,4S,5R,6R)-2,4-dihydroxy-5-[[2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?

(2S,4S,5R,6R)-2,4-dihydroxy-5-[[2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid has a molecular weight of 487.41 g/mol, XLogP of -7.08, 9 rotatable bonds, 11 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S,5R,6R)-2,4-dihydroxy-5-[[2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetyl]amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is sourced from PubChem (CID 102275227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).