hydroxylamine;1-hydroxypropan-2-one;propane-1,2,3-triol

C6H17NO6 — CID 87631073

IUPAChydroxylamine;1-hydroxypropan-2-one;propane-1,2,3-triol
SMILESCC(=O)CO.NO.OCC(O)CO
InChIInChI=1S/C3H8O3.C3H6O2.H3NO/c4-1-3(6)2-5;1-3(5)2-4;1-2/h3-6H,1-2H2;4H,2H2,1H3;2H,1H2
InChIKeyLEMFESMIQNKXGE-UHFFFAOYSA-N
MW199.20 g/mol
LogP-2.77
Rot. Bonds3

About hydroxylamine;1-hydroxypropan-2-one;propane-1,2,3-triol

hydroxylamine;1-hydroxypropan-2-one;propane-1,2,3-triol (PubChem CID 87631073) has the molecular formula C6H17NO6 and a molecular weight of 199.20 g/mol. Its IUPAC name is hydroxylamine;1-hydroxypropan-2-one;propane-1,2,3-triol.

Molecular Properties

Compound Namehydroxylamine;1-hydroxypropan-2-one;propane-1,2,3-triol
PubChem CID87631073
Molecular FormulaC6H17NO6
Molecular Weight199.20 g/mol
Exact Mass199.11
IUPAC Namehydroxylamine;1-hydroxypropan-2-one;propane-1,2,3-triol
SMILESCC(=O)CO.NO.OCC(O)CO
InChIInChI=1S/C3H8O3.C3H6O2.H3NO/c4-1-3(6)2-5;1-3(5)2-4;1-2/h3-6H,1-2H2;4H,2H2,1H3;2H,1H2
InChIKeyLEMFESMIQNKXGE-UHFFFAOYSA-N
XLogP-2.77
TPSA144.24 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500199.20
LogP ≤ 5-2.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxypropan-2-one;methane;propane-1,2-diol;propane-1,2,3-triol
CID 160542041
acetic acid;propane-1,2,3-triol;propan-2-one
CID 158983887
potassium;propane-1,2,3-triol;acetate
CID 23700856
acetic acid;ethane-1,2-diol;propane-1,2,3-triol
CID 174966848
bis(2-oxopropanoic acid);bis(propane-1,2,3-triol)
CID 175927088
ethyl acetate;propane-1,2,3-triol
CID 23448368
4-methylpentan-2-one;propane-1,2,3-triol
CID 88598058
propane-1,2,3-triol;urea;hydrate
CID 174420698
propane-1,2,3-triol;propan-2-ol;acetate
CID 22641262
copper;2,3-dihydroxypropyl acetate
CID 175414462
CID 174537028
CID 174537028
1-hydroxypropan-2-one;methane
CID 159772503

Frequently Asked Questions

What is the IUPAC name of hydroxylamine;1-hydroxypropan-2-one;propane-1,2,3-triol?
The IUPAC name of hydroxylamine;1-hydroxypropan-2-one;propane-1,2,3-triol (CID 87631073) is hydroxylamine;1-hydroxypropan-2-one;propane-1,2,3-triol.
What is the SMILES notation for hydroxylamine;1-hydroxypropan-2-one;propane-1,2,3-triol?
The canonical SMILES for hydroxylamine;1-hydroxypropan-2-one;propane-1,2,3-triol is CC(=O)CO.NO.OCC(O)CO.
What is the InChIKey of hydroxylamine;1-hydroxypropan-2-one;propane-1,2,3-triol?
The InChIKey is LEMFESMIQNKXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3.C3H6O2.H3NO/c4-1-3(6)2-5;1-3(5)2-4;1-2/h3-6H,1-2H2;4H,2H2,1H3;2H,1H2.
What are the key properties of hydroxylamine;1-hydroxypropan-2-one;propane-1,2,3-triol?
hydroxylamine;1-hydroxypropan-2-one;propane-1,2,3-triol has a molecular weight of 199.20 g/mol, XLogP of -2.77, 3 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxylamine;1-hydroxypropan-2-one;propane-1,2,3-triol is sourced from PubChem (CID 87631073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).