[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl] [(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen phosphate

C13H25O14P — CID 53242805

About [(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl] [(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen phosphate

[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl] [(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen phosphate (PubChem CID 53242805) has the molecular formula C13H25O14P and a molecular weight of 436.30 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl] [(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen phosphate.

Molecular Properties

• Compound Name: [(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl] [(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen phosphate
• PubChem CID: 53242805
• Molecular Formula: C13H25O14P
• Molecular Weight: 436.30 g/mol
• Exact Mass: 436.10
• IUPAC Name: [(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl] [(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen phosphate
• SMILES: CO[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)O[C@H](CO)[C@H]1O
• InChI: InChI=1S/C13H25O14P/c1-23-11-6(16)4(2-14)25-13(9(11)19)27-28(21,22)26-10-5(3-15)24-12(20)8(18)7(10)17/h4-20H,2-3H2,1H3,(H,21,22)/t4-,5-,6-,7-,8-,9-,10-,11+,12?,13-/m1/s1
• InChIKey: KGXSAWOWZQXVND-GFGKRWNNSA-N
• XLogP: -4.63
• TPSA: 225.06 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	436.30
LogP ≤ 5	-4.63
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl] [(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen phosphate (CID 53242805) is [(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl] [(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen phosphate.

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

The canonical SMILES for [(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl] [(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen phosphate is CO[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)O[C@H](CO)[C@H]1O.

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

The InChIKey is KGXSAWOWZQXVND-GFGKRWNNSA-N. The full InChI is InChI=1S/C13H25O14P/c1-23-11-6(16)4(2-14)25-13(9(11)19)27-28(21,22)26-10-5(3-15)24-12(20)8(18)7(10)17/h4-20H,2-3H2,1H3,(H,21,22)/t4-,5-,6-,7-,8-,9-,10-,11+,12?,13-/m1/s1.

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

[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl] [(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen phosphate has a molecular weight of 436.30 g/mol, XLogP of -4.63, 7 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl] [(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen phosphate is sourced from PubChem (CID 53242805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).