O-methylhydroxylamine;bis([(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate)

C13H31NO19P2 — CID 87931146

About O-methylhydroxylamine;bis([(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate)

O-methylhydroxylamine;bis([(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate) (PubChem CID 87931146) has the molecular formula C13H31NO19P2 and a molecular weight of 567.33 g/mol. Its IUPAC name is O-methylhydroxylamine;bis([(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate).

Molecular Properties

• Compound Name: O-methylhydroxylamine;bis([(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate)
• PubChem CID: 87931146
• Molecular Formula: C13H31NO19P2
• Molecular Weight: 567.33 g/mol
• Exact Mass: 567.10
• IUPAC Name: O-methylhydroxylamine;bis([(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate)
• SMILES: CON.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
• InChI: InChI=1S/2C6H13O9P.CH5NO/c2*7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;1-3-2/h2*1,3-6,8-11H,2H2,(H2,12,13,14);2H2,1H3/t2*3-,4+,5+,6+;/m00./s1
• InChIKey: GOUMDKNFZWABNZ-HXIISURNSA-N
• XLogP: -7.02
• TPSA: 364.75 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	567.33
LogP ≤ 5	-7.02
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of O-methylhydroxylamine;bis([(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate)?

The IUPAC name of O-methylhydroxylamine;bis([(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate) (CID 87931146) is O-methylhydroxylamine;bis([(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate).

What is the SMILES notation for O-methylhydroxylamine;bis([(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate)?

The canonical SMILES for O-methylhydroxylamine;bis([(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate) is CON.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.

What is the InChIKey of O-methylhydroxylamine;bis([(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate)?

The InChIKey is GOUMDKNFZWABNZ-HXIISURNSA-N. The full InChI is InChI=1S/2C6H13O9P.CH5NO/c2*7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;1-3-2/h2*1,3-6,8-11H,2H2,(H2,12,13,14);2H2,1H3/t2*3-,4+,5+,6+;/m00./s1.

What are the key properties of O-methylhydroxylamine;bis([(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate)?

O-methylhydroxylamine;bis([(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate) has a molecular weight of 567.33 g/mol, XLogP of -7.02, 14 rotatable bonds, 13 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for O-methylhydroxylamine;bis([(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate) is sourced from PubChem (CID 87931146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).