dipotassium;[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl phosphate

C12H21K2O14P — CID 18683200

About dipotassium;[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl phosphate

dipotassium;[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl phosphate (PubChem CID 18683200) has the molecular formula C12H21K2O14P and a molecular weight of 498.46 g/mol. Its IUPAC name is dipotassium;[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl phosphate.

Molecular Properties

• Compound Name: dipotassium;[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl phosphate
• PubChem CID: 18683200
• Molecular Formula: C12H21K2O14P
• Molecular Weight: 498.46 g/mol
• Exact Mass: 497.99
• IUPAC Name: dipotassium;[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl phosphate
• SMILES: O=P([O-])([O-])OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O.[K+].[K+]
• InChI: InChI=1S/C12H23O14P.2K/c13-1-4-6(15)8(17)9(18)11(24-4)26-12(3-23-27(20,21)22)10(19)7(16)5(2-14)25-12;;/h4-11,13-19H,1-3H2,(H2,20,21,22);;/q;2*+1/p-2/t4-,5-,6-,7-,8+,9-,10+,11-,12+;;/m1../s1
• InChIKey: CEFBBCBYYNXTGG-HCJAYUHRSA-L
• XLogP: -12.53
• TPSA: 241.72 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	498.46
LogP ≤ 5	-12.53
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dipotassium;[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl phosphate?

The IUPAC name of dipotassium;[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl phosphate (CID 18683200) is dipotassium;[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl phosphate.

What is the SMILES notation for dipotassium;[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl phosphate?

The canonical SMILES for dipotassium;[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl phosphate is O=P([O-])([O-])OC[C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O.[K+].[K+].

What is the InChIKey of dipotassium;[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl phosphate?

The InChIKey is CEFBBCBYYNXTGG-HCJAYUHRSA-L. The full InChI is InChI=1S/C12H23O14P.2K/c13-1-4-6(15)8(17)9(18)11(24-4)26-12(3-23-27(20,21)22)10(19)7(16)5(2-14)25-12;;/h4-11,13-19H,1-3H2,(H2,20,21,22);;/q;2*+1/p-2/t4-,5-,6-,7-,8+,9-,10+,11-,12+;;/m1../s1.

What are the key properties of dipotassium;[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl phosphate?

dipotassium;[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl phosphate has a molecular weight of 498.46 g/mol, XLogP of -12.53, 7 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl phosphate is sourced from PubChem (CID 18683200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).