potassium 2-amino-5-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-5-oxopentanoate

C17H28KNO14 — CID 68934949

About potassium 2-amino-5-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-5-oxopentanoate

potassium 2-amino-5-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-5-oxopentanoate (PubChem CID 68934949) has the molecular formula C17H28KNO14 and a molecular weight of 509.50 g/mol. Its IUPAC name is potassium 2-amino-5-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-5-oxopentanoate.

Molecular Properties

• Compound Name: potassium 2-amino-5-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-5-oxopentanoate
• PubChem CID: 68934949
• Molecular Formula: C17H28KNO14
• Molecular Weight: 509.50 g/mol
• Exact Mass: 509.11
• IUPAC Name: potassium 2-amino-5-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-5-oxopentanoate
• SMILES: NC(CCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)[O-].[K+]
• InChI: InChI=1S/C17H29NO14.K/c18-6(15(27)28)1-2-9(22)30-14-11(24)8(4-20)31-17(14,5-21)32-16-13(26)12(25)10(23)7(3-19)29-16;/h6-8,10-14,16,19-21,23-26H,1-5,18H2,(H,27,28);/q;+1/p-1/t6?,7-,8-,10-,11-,12+,13-,14+,16-,17+;/m1./s1
• InChIKey: RPZBTTDVZOUFSM-XFAWWMRRSA-M
• XLogP: -9.98
• TPSA: 261.75 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	509.50
LogP ≤ 5	-9.98
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of potassium 2-amino-5-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-5-oxopentanoate?

The IUPAC name of potassium 2-amino-5-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-5-oxopentanoate (CID 68934949) is potassium 2-amino-5-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-5-oxopentanoate.

What is the SMILES notation for potassium 2-amino-5-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-5-oxopentanoate?

The canonical SMILES for potassium 2-amino-5-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-5-oxopentanoate is NC(CCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@]1(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)[O-].[K+].

What is the InChIKey of potassium 2-amino-5-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-5-oxopentanoate?

The InChIKey is RPZBTTDVZOUFSM-XFAWWMRRSA-M. The full InChI is InChI=1S/C17H29NO14.K/c18-6(15(27)28)1-2-9(22)30-14-11(24)8(4-20)31-17(14,5-21)32-16-13(26)12(25)10(23)7(3-19)29-16;/h6-8,10-14,16,19-21,23-26H,1-5,18H2,(H,27,28);/q;+1/p-1/t6?,7-,8-,10-,11-,12+,13-,14+,16-,17+;/m1./s1.

What are the key properties of potassium 2-amino-5-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-5-oxopentanoate?

potassium 2-amino-5-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-5-oxopentanoate has a molecular weight of 509.50 g/mol, XLogP of -9.98, 10 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for potassium 2-amino-5-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-5-oxopentanoate is sourced from PubChem (CID 68934949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).