(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-(3-aminopropoxy)-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H33NO19 — CID 102578416

About (2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-(3-aminopropoxy)-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-(3-aminopropoxy)-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (PubChem CID 102578416) has the molecular formula C21H33NO19 and a molecular weight of 603.48 g/mol. Its IUPAC name is (2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-(3-aminopropoxy)-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-(3-aminopropoxy)-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
• PubChem CID: 102578416
• Molecular Formula: C21H33NO19
• Molecular Weight: 603.48 g/mol
• Exact Mass: 603.16
• IUPAC Name: (2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-(3-aminopropoxy)-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
• SMILES: NCCCO[C@@H]1O[C@@H](C(=O)O)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](O[C@@H]3O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]3O)C(O)[C@@H]2O)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C21H33NO19/c22-2-1-3-36-19-9(28)6(25)11(14(40-19)17(32)33)38-21-10(29)7(26)12(15(41-21)18(34)35)37-20-8(27)4(23)5(24)13(39-20)16(30)31/h4-15,19-21,23-29H,1-3,22H2,(H,30,31)(H,32,33)(H,34,35)/t4-,5-,6+,7?,8-,9-,10-,11-,12-,13+,14+,15+,19+,20+,21+/m0/s1
• InChIKey: YLGQKSVHZFJLHY-HSYGJRKISA-N
• XLogP: -6.92
• TPSA: 334.91 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	603.48
LogP ≤ 5	-6.92
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-(3-aminopropoxy)-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid?

The IUPAC name of (2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-(3-aminopropoxy)-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CID 102578416) is (2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-(3-aminopropoxy)-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.

What is the SMILES notation for (2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-(3-aminopropoxy)-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid?

The canonical SMILES for (2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-(3-aminopropoxy)-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid is NCCCO[C@@H]1O[C@@H](C(=O)O)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](O[C@@H]3O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]3O)C(O)[C@@H]2O)[C@H](O)[C@@H]1O.

What is the InChIKey of (2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-(3-aminopropoxy)-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid?

The InChIKey is YLGQKSVHZFJLHY-HSYGJRKISA-N. The full InChI is InChI=1S/C21H33NO19/c22-2-1-3-36-19-9(28)6(25)11(14(40-19)17(32)33)38-21-10(29)7(26)12(15(41-21)18(34)35)37-20-8(27)4(23)5(24)13(39-20)16(30)31/h4-15,19-21,23-29H,1-3,22H2,(H,30,31)(H,32,33)(H,34,35)/t4-,5-,6+,7?,8-,9-,10-,11-,12-,13+,14+,15+,19+,20+,21+/m0/s1.

What are the key properties of (2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-(3-aminopropoxy)-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid?

(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-(3-aminopropoxy)-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid has a molecular weight of 603.48 g/mol, XLogP of -6.92, 11 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-[(2R,3S,4R,5S,6R)-6-(3-aminopropoxy)-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 102578416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).