disodium;[(2S,3R,4R,5R,6S)-3-[(2R,3R,4R,5S,6R)-5-[(2S,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl] phosphate

C20H34NNa2O18P — CID 11028705

About disodium;[(2S,3R,4R,5R,6S)-3-[(2R,3R,4R,5S,6R)-5-[(2S,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl] phosphate

disodium;[(2S,3R,4R,5R,6S)-3-[(2R,3R,4R,5S,6R)-5-[(2S,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl] phosphate (PubChem CID 11028705) has the molecular formula C20H34NNa2O18P and a molecular weight of 653.43 g/mol. Its IUPAC name is disodium;[(2S,3R,4R,5R,6S)-3-[(2R,3R,4R,5S,6R)-5-[(2S,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl] phosphate.

Molecular Properties

• Compound Name: disodium;[(2S,3R,4R,5R,6S)-3-[(2R,3R,4R,5S,6R)-5-[(2S,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl] phosphate
• PubChem CID: 11028705
• Molecular Formula: C20H34NNa2O18P
• Molecular Weight: 653.43 g/mol
• Exact Mass: 653.13
• IUPAC Name: disodium;[(2S,3R,4R,5R,6S)-3-[(2R,3R,4R,5S,6R)-5-[(2S,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl] phosphate
• SMILES: CC(=O)N[C@@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](OP(=O)([O-])[O-])O[C@@H](C)[C@H](O)[C@H]3O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O.[Na+].[Na+]
• InChI: InChI=1S/C20H36NO18P.2Na/c1-5-10(25)13(28)17(20(34-5)39-40(31,32)33)38-19-15(30)14(29)16(8(4-23)36-19)37-18-9(21-6(2)24)12(27)11(26)7(3-22)35-18;;/h5,7-20,22-23,25-30H,3-4H2,1-2H3,(H,21,24)(H2,31,32,33);;/q;2*+1/p-2/t5-,7+,8+,9-,10-,11+,12+,13+,14+,15+,16+,17+,18-,19+,20-;;/m0../s1
• InChIKey: RMTOEBCXTXXFED-SKCIRTHZSA-L
• XLogP: -13.54
• TPSA: 309.51 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	653.43
LogP ≤ 5	-13.54
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of disodium;[(2S,3R,4R,5R,6S)-3-[(2R,3R,4R,5S,6R)-5-[(2S,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl] phosphate?

The IUPAC name of disodium;[(2S,3R,4R,5R,6S)-3-[(2R,3R,4R,5S,6R)-5-[(2S,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl] phosphate (CID 11028705) is disodium;[(2S,3R,4R,5R,6S)-3-[(2R,3R,4R,5S,6R)-5-[(2S,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl] phosphate.

What is the SMILES notation for disodium;[(2S,3R,4R,5R,6S)-3-[(2R,3R,4R,5S,6R)-5-[(2S,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl] phosphate?

The canonical SMILES for disodium;[(2S,3R,4R,5R,6S)-3-[(2R,3R,4R,5S,6R)-5-[(2S,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl] phosphate is CC(=O)N[C@@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](OP(=O)([O-])[O-])O[C@@H](C)[C@H](O)[C@H]3O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O.[Na+].[Na+].

What is the InChIKey of disodium;[(2S,3R,4R,5R,6S)-3-[(2R,3R,4R,5S,6R)-5-[(2S,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl] phosphate?

The InChIKey is RMTOEBCXTXXFED-SKCIRTHZSA-L. The full InChI is InChI=1S/C20H36NO18P.2Na/c1-5-10(25)13(28)17(20(34-5)39-40(31,32)33)38-19-15(30)14(29)16(8(4-23)36-19)37-18-9(21-6(2)24)12(27)11(26)7(3-22)35-18;;/h5,7-20,22-23,25-30H,3-4H2,1-2H3,(H,21,24)(H2,31,32,33);;/q;2*+1/p-2/t5-,7+,8+,9-,10-,11+,12+,13+,14+,15+,16+,17+,18-,19+,20-;;/m0../s1.

What are the key properties of disodium;[(2S,3R,4R,5R,6S)-3-[(2R,3R,4R,5S,6R)-5-[(2S,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl] phosphate?

disodium;[(2S,3R,4R,5R,6S)-3-[(2R,3R,4R,5S,6R)-5-[(2S,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl] phosphate has a molecular weight of 653.43 g/mol, XLogP of -13.54, 9 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;[(2S,3R,4R,5R,6S)-3-[(2R,3R,4R,5S,6R)-5-[(2S,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl] phosphate is sourced from PubChem (CID 11028705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).