1,2,2,2-tetrahydroxyethylazanium hydroxide

C2H9NO5 — CID 87579660

IUPAC1,2,2,2-tetrahydroxyethylazanium hydroxide
SMILES[NH3+]C(O)C(O)(O)O.[OH-]
InChIInChI=1S/C2H7NO4.H2O/c3-1(4)2(5,6)7;/h1,4-7H,3H2;1H2
InChIKeyLPCUKVLKMNSRFQ-UHFFFAOYSA-N
MW127.10 g/mol
LogP-4.00
Rot. Bonds1

About 1,2,2,2-tetrahydroxyethylazanium hydroxide

1,2,2,2-tetrahydroxyethylazanium hydroxide (PubChem CID 87579660) has the molecular formula C2H9NO5 and a molecular weight of 127.10 g/mol. Its IUPAC name is 1,2,2,2-tetrahydroxyethylazanium hydroxide.

Molecular Properties

Compound Name1,2,2,2-tetrahydroxyethylazanium hydroxide
PubChem CID87579660
Molecular FormulaC2H9NO5
Molecular Weight127.10 g/mol
Exact Mass127.05
IUPAC Name1,2,2,2-tetrahydroxyethylazanium hydroxide
SMILES[NH3+]C(O)C(O)(O)O.[OH-]
InChIInChI=1S/C2H7NO4.H2O/c3-1(4)2(5,6)7;/h1,4-7H,3H2;1H2
InChIKeyLPCUKVLKMNSRFQ-UHFFFAOYSA-N
XLogP-4.00
TPSA138.56 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-4.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,2-tetrahydroxyethylazanium hydroxide?
The IUPAC name of 1,2,2,2-tetrahydroxyethylazanium hydroxide (CID 87579660) is 1,2,2,2-tetrahydroxyethylazanium hydroxide.
What is the SMILES notation for 1,2,2,2-tetrahydroxyethylazanium hydroxide?
The canonical SMILES for 1,2,2,2-tetrahydroxyethylazanium hydroxide is [NH3+]C(O)C(O)(O)O.[OH-].
What is the InChIKey of 1,2,2,2-tetrahydroxyethylazanium hydroxide?
The InChIKey is LPCUKVLKMNSRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO4.H2O/c3-1(4)2(5,6)7;/h1,4-7H,3H2;1H2.
What are the key properties of 1,2,2,2-tetrahydroxyethylazanium hydroxide?
1,2,2,2-tetrahydroxyethylazanium hydroxide has a molecular weight of 127.10 g/mol, XLogP of -4.00, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,2-tetrahydroxyethylazanium hydroxide is sourced from PubChem (CID 87579660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).