2-aminoethane-1,1,1,2,2-pentol;hydrate

C2H9NO6 — CID 173433436

IUPAC2-aminoethane-1,1,1,2,2-pentol;hydrate
SMILESNC(O)(O)C(O)(O)O.O
InChIInChI=1S/C2H7NO5.H2O/c3-1(4,5)2(6,7)8;/h4-8H,3H2;1H2
InChIKeyLDIRFUAFVVPIJP-UHFFFAOYSA-N
MW143.09 g/mol
LogP-4.61
Rot. Bonds1

About 2-aminoethane-1,1,1,2,2-pentol;hydrate

2-aminoethane-1,1,1,2,2-pentol;hydrate (PubChem CID 173433436) has the molecular formula C2H9NO6 and a molecular weight of 143.09 g/mol. Its IUPAC name is 2-aminoethane-1,1,1,2,2-pentol;hydrate.

Molecular Properties

Compound Name2-aminoethane-1,1,1,2,2-pentol;hydrate
PubChem CID173433436
Molecular FormulaC2H9NO6
Molecular Weight143.09 g/mol
Exact Mass143.04
IUPAC Name2-aminoethane-1,1,1,2,2-pentol;hydrate
SMILESNC(O)(O)C(O)(O)O.O
InChIInChI=1S/C2H7NO5.H2O/c3-1(4,5)2(6,7)8;/h4-8H,3H2;1H2
InChIKeyLDIRFUAFVVPIJP-UHFFFAOYSA-N
XLogP-4.61
TPSA158.67 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500143.09
LogP ≤ 5-4.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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 2-aminoethane-1,1,1,2,2-pentol;hydrate?
The IUPAC name of 2-aminoethane-1,1,1,2,2-pentol;hydrate (CID 173433436) is 2-aminoethane-1,1,1,2,2-pentol;hydrate.
What is the SMILES notation for 2-aminoethane-1,1,1,2,2-pentol;hydrate?
The canonical SMILES for 2-aminoethane-1,1,1,2,2-pentol;hydrate is NC(O)(O)C(O)(O)O.O.
What is the InChIKey of 2-aminoethane-1,1,1,2,2-pentol;hydrate?
The InChIKey is LDIRFUAFVVPIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO5.H2O/c3-1(4,5)2(6,7)8;/h4-8H,3H2;1H2.
What are the key properties of 2-aminoethane-1,1,1,2,2-pentol;hydrate?
2-aminoethane-1,1,1,2,2-pentol;hydrate has a molecular weight of 143.09 g/mol, XLogP of -4.61, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethane-1,1,1,2,2-pentol;hydrate is sourced from PubChem (CID 173433436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).