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

C7H18NO10P — CID 87280261

IUPACO-methylhydroxylamine;[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate
SMILESCON.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
InChIInChI=1S/C6H13O9P.CH5NO/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;1-3-2/h1,3-6,8-11H,2H2,(H2,12,13,14);2H2,1H3/t3-,4+,5+,6+;/m0./s1
InChIKeyMQKMYMKOPCCMEJ-BTVCFUMJSA-N
MW307.19 g/mol
LogP-3.76
Rot. Bonds7

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

O-methylhydroxylamine;[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate (PubChem CID 87280261) has the molecular formula C7H18NO10P and a molecular weight of 307.19 g/mol. Its IUPAC name is O-methylhydroxylamine;[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate.

Molecular Properties

Compound NameO-methylhydroxylamine;[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate
PubChem CID87280261
Molecular FormulaC7H18NO10P
Molecular Weight307.19 g/mol
Exact Mass307.07
IUPAC NameO-methylhydroxylamine;[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate
SMILESCON.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
InChIInChI=1S/C6H13O9P.CH5NO/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;1-3-2/h1,3-6,8-11H,2H2,(H2,12,13,14);2H2,1H3/t3-,4+,5+,6+;/m0./s1
InChIKeyMQKMYMKOPCCMEJ-BTVCFUMJSA-N
XLogP-3.76
TPSA200.00 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.19
LogP ≤ 5-3.76
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

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,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate
CID 87279976
[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate
CID 87521417
CID 89401296
CID 89401296
CID 156594754
CID 156594754
CID 131881916
CID 131881916
[(2R,3R,4R)-2,3,4-trihydroxy-5-oxo(513C)pentyl] dihydrogen phosphate
CID 14029335
2,3,4,5,6-pentahydroxyhexanal;(2,3,4,5-tetrahydroxy-6-oxohexyl) dihydrogen phosphate
CID 170312997
dimethyl (2,3,4,5-tetrahydroxy-6-oxohexyl) phosphate
CID 58974542
(2-hydroxy-3-oxopropyl) dihydrogen phosphate;[(2R,3S,4R)-2,3,4-trihydroxy-5-oxopentyl] dihydrogen phosphate
CID 162052585
[(3S,4R,5R)-5-amino-2,3,4-trihydroxy-6-oxohexyl] dihydrogen phosphate
CID 45109785
[(2S,3R)-2,3-dihydroxy-4-oxobutyl] dihydrogen phosphate
CID 46936836

Frequently Asked Questions

What is the IUPAC name of O-methylhydroxylamine;[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate?
The IUPAC name of O-methylhydroxylamine;[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate (CID 87280261) is O-methylhydroxylamine;[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate.
What is the SMILES notation for O-methylhydroxylamine;[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate?
The canonical SMILES for O-methylhydroxylamine;[(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.
What is the InChIKey of O-methylhydroxylamine;[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate?
The InChIKey is MQKMYMKOPCCMEJ-BTVCFUMJSA-N. The full InChI is InChI=1S/C6H13O9P.CH5NO/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;1-3-2/h1,3-6,8-11H,2H2,(H2,12,13,14);2H2,1H3/t3-,4+,5+,6+;/m0./s1.
What are the key properties of O-methylhydroxylamine;[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate?
O-methylhydroxylamine;[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate has a molecular weight of 307.19 g/mol, XLogP of -3.76, 7 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for O-methylhydroxylamine;[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate is sourced from PubChem (CID 87280261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).