[3-(hydroxyamino)-3-oxopropyl] dihydrogen phosphate

C3H8NO6P — CID 134148141

IUPAC[3-(hydroxyamino)-3-oxopropyl] dihydrogen phosphate
SMILESO=C(CCOP(=O)(O)O)NO
InChIInChI=1S/C3H8NO6P/c5-3(4-6)1-2-10-11(7,8)9/h6H,1-2H2,(H,4,5)(H2,7,8,9)
InChIKeyMJAYOFKICCHVHC-UHFFFAOYSA-N
MW185.07 g/mol
LogP-1.01
Rot. Bonds4

About [3-(hydroxyamino)-3-oxopropyl] dihydrogen phosphate

[3-(hydroxyamino)-3-oxopropyl] dihydrogen phosphate (PubChem CID 134148141) has the molecular formula C3H8NO6P and a molecular weight of 185.07 g/mol. Its IUPAC name is [3-(hydroxyamino)-3-oxopropyl] dihydrogen phosphate.

Molecular Properties

Compound Name[3-(hydroxyamino)-3-oxopropyl] dihydrogen phosphate
PubChem CID134148141
Molecular FormulaC3H8NO6P
Molecular Weight185.07 g/mol
Exact Mass185.01
IUPAC Name[3-(hydroxyamino)-3-oxopropyl] dihydrogen phosphate
SMILESO=C(CCOP(=O)(O)O)NO
InChIInChI=1S/C3H8NO6P/c5-3(4-6)1-2-10-11(7,8)9/h6H,1-2H2,(H,4,5)(H2,7,8,9)
InChIKeyMJAYOFKICCHVHC-UHFFFAOYSA-N
XLogP-1.01
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.07
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[20-(hydroxyamino)-20-oxoicosyl] dihydrogen phosphate
CID 87682987
[23-(hydroxyamino)-23-oxotricosyl] dihydrogen phosphate
CID 87682580
[31-(hydroxyamino)-31-oxohentriacontyl] dihydrogen phosphate
CID 87683294
[13-(hydroxyamino)-13-oxotridecyl] dihydrogen phosphate
CID 87681307
[15-(hydroxyamino)-15-oxopentadecyl] dihydrogen phosphate
CID 87685795
[3-[(2,3-dimethyl-4-oxobutyl)amino]-3-oxopropyl] dihydrogen phosphate
CID 126718869
methyl 2-(2-phosphonooxyethyl)but-2-enoate
CID 175436124
3-bromobut-3-enyl dihydrogen phosphate
CID 154998309
2-(4-hydroxybutanoylamino)ethyl dihydrogen phosphate
CID 87671485
2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoylamino]ethyl dihydrogen phosphate
CID 175835823
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxyamino)-3-oxopropyl] dihydrogen phosphate?
The IUPAC name of [3-(hydroxyamino)-3-oxopropyl] dihydrogen phosphate (CID 134148141) is [3-(hydroxyamino)-3-oxopropyl] dihydrogen phosphate.
What is the SMILES notation for [3-(hydroxyamino)-3-oxopropyl] dihydrogen phosphate?
The canonical SMILES for [3-(hydroxyamino)-3-oxopropyl] dihydrogen phosphate is O=C(CCOP(=O)(O)O)NO.
What is the InChIKey of [3-(hydroxyamino)-3-oxopropyl] dihydrogen phosphate?
The InChIKey is MJAYOFKICCHVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO6P/c5-3(4-6)1-2-10-11(7,8)9/h6H,1-2H2,(H,4,5)(H2,7,8,9).
What are the key properties of [3-(hydroxyamino)-3-oxopropyl] dihydrogen phosphate?
[3-(hydroxyamino)-3-oxopropyl] dihydrogen phosphate has a molecular weight of 185.07 g/mol, XLogP of -1.01, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxyamino)-3-oxopropyl] dihydrogen phosphate is sourced from PubChem (CID 134148141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).