(2-hydroxy-1-phosphoethyl)azanium

C2H7NO3P+ — CID 171375849

IUPAC(2-hydroxy-1-phosphoethyl)azanium
SMILES[NH3+]C(CO)[P+](=O)[O-]
InChIInChI=1S/C2H6NO3P/c3-2(1-4)7(5)6/h2,4H,1,3H2/p+1
InChIKeyPEVSJTXMTQBLMW-UHFFFAOYSA-O
MW124.06 g/mol
LogP-2.35
Rot. Bonds2

About (2-hydroxy-1-phosphoethyl)azanium

(2-hydroxy-1-phosphoethyl)azanium (PubChem CID 171375849) has the molecular formula C2H7NO3P+ and a molecular weight of 124.06 g/mol. Its IUPAC name is (2-hydroxy-1-phosphoethyl)azanium.

Molecular Properties

Compound Name(2-hydroxy-1-phosphoethyl)azanium
PubChem CID171375849
Molecular FormulaC2H7NO3P+
Molecular Weight124.06 g/mol
Exact Mass124.02
IUPAC Name(2-hydroxy-1-phosphoethyl)azanium
SMILES[NH3+]C(CO)[P+](=O)[O-]
InChIInChI=1S/C2H6NO3P/c3-2(1-4)7(5)6/h2,4H,1,3H2/p+1
InChIKeyPEVSJTXMTQBLMW-UHFFFAOYSA-O
XLogP-2.35
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.06
LogP ≤ 5-2.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-hydroxy-2-methylpropyl)-oxido-oxophosphanium
CID 159444986
sodium 1-hydroxyethyl-oxido-oxophosphanium
CID 23706939
calcium bis(1-hydroxyethyl-oxido-oxophosphanium)
CID 13389887
dihydroxy(oxo)phosphanium;propane-1,2,3-triol
CID 87878528
aluminum;sodium;tetrakis(dioxido(oxo)phosphanium)
CID 173111312
CID 159938136
CID 159938136
[(1S)-1-carboxy-2-hydroxyethyl]azanium
CID 5460790
hydroxymethoxy-oxido-oxophosphanium
CID 152749176
aluminum tris(ethyl-oxido-oxophosphanium)
CID 157497203
beryllium;chloromethanol;oxido-oxo-phosphooxyphosphanium
CID 88722712
hydron;phosphenic acid
CID 170839114
(1-amino-3-hydroxy-1-oxopropan-2-yl)azanium
CID 25201551

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-1-phosphoethyl)azanium?
The IUPAC name of (2-hydroxy-1-phosphoethyl)azanium (CID 171375849) is (2-hydroxy-1-phosphoethyl)azanium.
What is the SMILES notation for (2-hydroxy-1-phosphoethyl)azanium?
The canonical SMILES for (2-hydroxy-1-phosphoethyl)azanium is [NH3+]C(CO)[P+](=O)[O-].
What is the InChIKey of (2-hydroxy-1-phosphoethyl)azanium?
The InChIKey is PEVSJTXMTQBLMW-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H6NO3P/c3-2(1-4)7(5)6/h2,4H,1,3H2/p+1.
What are the key properties of (2-hydroxy-1-phosphoethyl)azanium?
(2-hydroxy-1-phosphoethyl)azanium has a molecular weight of 124.06 g/mol, XLogP of -2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-1-phosphoethyl)azanium is sourced from PubChem (CID 171375849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).