(2-amino-1-hydroxyethyl)-(2,3-dihydroxypropyl)-oxophosphanium

C5H13NO4P+ — CID 19042653

IUPAC(2-amino-1-hydroxyethyl)-(2,3-dihydroxypropyl)-oxophosphanium
SMILESNCC(O)[P+](=O)CC(O)CO
InChIInChI=1S/C5H13NO4P/c6-1-5(9)11(10)3-4(8)2-7/h4-5,7-9H,1-3,6H2/q+1
InChIKeyMYMWRYVHDBDJTO-UHFFFAOYSA-N
MW182.14 g/mol
LogP-1.56
Rot. Bonds5

About (2-amino-1-hydroxyethyl)-(2,3-dihydroxypropyl)-oxophosphanium

(2-amino-1-hydroxyethyl)-(2,3-dihydroxypropyl)-oxophosphanium (PubChem CID 19042653) has the molecular formula C5H13NO4P+ and a molecular weight of 182.14 g/mol. Its IUPAC name is (2-amino-1-hydroxyethyl)-(2,3-dihydroxypropyl)-oxophosphanium.

Molecular Properties

Compound Name(2-amino-1-hydroxyethyl)-(2,3-dihydroxypropyl)-oxophosphanium
PubChem CID19042653
Molecular FormulaC5H13NO4P+
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name(2-amino-1-hydroxyethyl)-(2,3-dihydroxypropyl)-oxophosphanium
SMILESNCC(O)[P+](=O)CC(O)CO
InChIInChI=1S/C5H13NO4P/c6-1-5(9)11(10)3-4(8)2-7/h4-5,7-9H,1-3,6H2/q+1
InChIKeyMYMWRYVHDBDJTO-UHFFFAOYSA-N
XLogP-1.56
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-1-hydroxyethyl)-(2,3-dihydroxypropyl)-oxophosphanium?
The IUPAC name of (2-amino-1-hydroxyethyl)-(2,3-dihydroxypropyl)-oxophosphanium (CID 19042653) is (2-amino-1-hydroxyethyl)-(2,3-dihydroxypropyl)-oxophosphanium.
What is the SMILES notation for (2-amino-1-hydroxyethyl)-(2,3-dihydroxypropyl)-oxophosphanium?
The canonical SMILES for (2-amino-1-hydroxyethyl)-(2,3-dihydroxypropyl)-oxophosphanium is NCC(O)[P+](=O)CC(O)CO.
What is the InChIKey of (2-amino-1-hydroxyethyl)-(2,3-dihydroxypropyl)-oxophosphanium?
The InChIKey is MYMWRYVHDBDJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO4P/c6-1-5(9)11(10)3-4(8)2-7/h4-5,7-9H,1-3,6H2/q+1.
What are the key properties of (2-amino-1-hydroxyethyl)-(2,3-dihydroxypropyl)-oxophosphanium?
(2-amino-1-hydroxyethyl)-(2,3-dihydroxypropyl)-oxophosphanium has a molecular weight of 182.14 g/mol, XLogP of -1.56, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-hydroxyethyl)-(2,3-dihydroxypropyl)-oxophosphanium is sourced from PubChem (CID 19042653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).