O-methylhydroxylamine;[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate

C7H18NO10P — CID 67127490

About O-methylhydroxylamine;[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate

O-methylhydroxylamine;[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate (PubChem CID 67127490) has the molecular formula C7H18NO10P and a molecular weight of 307.19 g/mol. Its IUPAC name is O-methylhydroxylamine;[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate.

Molecular Properties

• Compound Name: O-methylhydroxylamine;[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
• PubChem CID: 67127490
• Molecular Formula: C7H18NO10P
• Molecular Weight: 307.19 g/mol
• Exact Mass: 307.07
• IUPAC Name: O-methylhydroxylamine;[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
• SMILES: CON.O=P(O)(O)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C6H13O9P.CH5NO/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13;1-3-2/h3-5,7-10H,1-2H2,(H2,11,12,13);2H2,1H3/t3-,4-,5+,6-;/m1./s1
• InChIKey: FJOUITLYOHIPPF-PVCLPBLSSA-N
• XLogP: -3.60
• TPSA: 192.16 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	307.19
LogP ≤ 5	-3.60
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'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;[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate?

The IUPAC name of O-methylhydroxylamine;[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate (CID 67127490) is O-methylhydroxylamine;[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate.

What is the SMILES notation for O-methylhydroxylamine;[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate?

The canonical SMILES for O-methylhydroxylamine;[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate is CON.O=P(O)(O)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O.

What is the InChIKey of O-methylhydroxylamine;[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate?

The InChIKey is FJOUITLYOHIPPF-PVCLPBLSSA-N. The full InChI is InChI=1S/C6H13O9P.CH5NO/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13;1-3-2/h3-5,7-10H,1-2H2,(H2,11,12,13);2H2,1H3/t3-,4-,5+,6-;/m1./s1.

What are the key properties of O-methylhydroxylamine;[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate?

O-methylhydroxylamine;[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate has a molecular weight of 307.19 g/mol, XLogP of -3.60, 4 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for O-methylhydroxylamine;[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 67127490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).