2-[(dihydroxyamino)oxymethyl]-2-(hydroxymethyl)propane-1,3-diol

C5H13NO6 — CID 88559974

IUPAC2-[(dihydroxyamino)oxymethyl]-2-(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)CON(O)O
InChIInChI=1S/C5H13NO6/c7-1-5(2-8,3-9)4-12-6(10)11/h7-11H,1-4H2
InChIKeyDCRNBGBIIHRTHD-UHFFFAOYSA-N
MW183.16 g/mol
LogP-2.04
Rot. Bonds6

About 2-[(dihydroxyamino)oxymethyl]-2-(hydroxymethyl)propane-1,3-diol

2-[(dihydroxyamino)oxymethyl]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 88559974) has the molecular formula C5H13NO6 and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-[(dihydroxyamino)oxymethyl]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(dihydroxyamino)oxymethyl]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID88559974
Molecular FormulaC5H13NO6
Molecular Weight183.16 g/mol
Exact Mass183.07
IUPAC Name2-[(dihydroxyamino)oxymethyl]-2-(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)CON(O)O
InChIInChI=1S/C5H13NO6/c7-1-5(2-8,3-9)4-12-6(10)11/h7-11H,1-4H2
InChIKeyDCRNBGBIIHRTHD-UHFFFAOYSA-N
XLogP-2.04
TPSA113.62 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 5-2.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(dihydroxyamino)oxymethyl]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[(dihydroxyamino)oxymethyl]-2-(hydroxymethyl)propane-1,3-diol (CID 88559974) is 2-[(dihydroxyamino)oxymethyl]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[(dihydroxyamino)oxymethyl]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[(dihydroxyamino)oxymethyl]-2-(hydroxymethyl)propane-1,3-diol is OCC(CO)(CO)CON(O)O.
What is the InChIKey of 2-[(dihydroxyamino)oxymethyl]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is DCRNBGBIIHRTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO6/c7-1-5(2-8,3-9)4-12-6(10)11/h7-11H,1-4H2.
What are the key properties of 2-[(dihydroxyamino)oxymethyl]-2-(hydroxymethyl)propane-1,3-diol?
2-[(dihydroxyamino)oxymethyl]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 183.16 g/mol, XLogP of -2.04, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dihydroxyamino)oxymethyl]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 88559974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).