O-methylhydroxylamine;[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate

C6H16NO9P — CID 87279976

IUPACO-methylhydroxylamine;[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate
SMILESCON.O=C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
InChIInChI=1S/C5H11O8P.CH5NO/c6-1-3(7)5(9)4(8)2-13-14(10,11)12;1-3-2/h1,3-5,7-9H,2H2,(H2,10,11,12);2H2,1H3/t3-,4+,5-;/m0./s1
InChIKeyUSAUFHJGACMAIE-VEGRVEBRSA-N
MW277.17 g/mol
LogP-3.12
Rot. Bonds6

About O-methylhydroxylamine;[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate

O-methylhydroxylamine;[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate (PubChem CID 87279976) has the molecular formula C6H16NO9P and a molecular weight of 277.17 g/mol. Its IUPAC name is O-methylhydroxylamine;[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate.

Molecular Properties

Compound NameO-methylhydroxylamine;[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate
PubChem CID87279976
Molecular FormulaC6H16NO9P
Molecular Weight277.17 g/mol
Exact Mass277.06
IUPAC NameO-methylhydroxylamine;[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate
SMILESCON.O=C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
InChIInChI=1S/C5H11O8P.CH5NO/c6-1-3(7)5(9)4(8)2-13-14(10,11)12;1-3-2/h1,3-5,7-9H,2H2,(H2,10,11,12);2H2,1H3/t3-,4+,5-;/m0./s1
InChIKeyUSAUFHJGACMAIE-VEGRVEBRSA-N
XLogP-3.12
TPSA179.77 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.17
LogP ≤ 5-3.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

O-methylhydroxylamine;bis([(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate)
CID 87931146
O-methylhydroxylamine;[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate
CID 87280261
[(2R,3R,4R)-2,3,4-trihydroxy-5-oxo(513C)pentyl] dihydrogen phosphate
CID 14029335
[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate
CID 87521417
(2-hydroxy-3-oxopropyl) dihydrogen phosphate;[(2R,3S,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate
CID 162052585
CID 89401296
CID 89401296
CID 131881916
CID 131881916
CID 156594754
CID 156594754
2,3,4,5,6-pentahydroxyhexanal;(2,3,4,5-tetrahydroxy-6-oxohexyl) dihydrogen phosphate
CID 170312997
[(2S,3R)-2,3-dihydroxy-4-oxobutyl] dihydrogen phosphate
CID 46936836
(2,3-dihydroxy-4-oxobutyl) dihydrogen phosphate;phosphoric acid
CID 175031985
[(3S,4R,5R)-5-amino-2,3,4-trihydroxy-6-oxohexyl] dihydrogen phosphate
CID 45109785

Frequently Asked Questions

What is the IUPAC name of O-methylhydroxylamine;[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate?
The IUPAC name of O-methylhydroxylamine;[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate (CID 87279976) is O-methylhydroxylamine;[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate.
What is the SMILES notation for O-methylhydroxylamine;[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate?
The canonical SMILES for O-methylhydroxylamine;[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate is CON.O=C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.
What is the InChIKey of O-methylhydroxylamine;[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate?
The InChIKey is USAUFHJGACMAIE-VEGRVEBRSA-N. The full InChI is InChI=1S/C5H11O8P.CH5NO/c6-1-3(7)5(9)4(8)2-13-14(10,11)12;1-3-2/h1,3-5,7-9H,2H2,(H2,10,11,12);2H2,1H3/t3-,4+,5-;/m0./s1.
What are the key properties of O-methylhydroxylamine;[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate?
O-methylhydroxylamine;[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate has a molecular weight of 277.17 g/mol, XLogP of -3.12, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for O-methylhydroxylamine;[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate is sourced from PubChem (CID 87279976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).