2-aminoethanol;ethoxy prop-2-enyl sulfate

C7H17NO6S — CID 90391642

IUPAC2-aminoethanol;ethoxy prop-2-enyl sulfate
SMILESC=CCOS(=O)(=O)OOCC.NCCO
InChIInChI=1S/C5H10O5S.C2H7NO/c1-3-5-9-11(6,7)10-8-4-2;3-1-2-4/h3H,1,4-5H2,2H3;4H,1-3H2
InChIKeyYHZMNQWHHNCNCQ-UHFFFAOYSA-N
MW243.28 g/mol
LogP-0.66
Rot. Bonds7

About 2-aminoethanol;ethoxy prop-2-enyl sulfate

2-aminoethanol;ethoxy prop-2-enyl sulfate (PubChem CID 90391642) has the molecular formula C7H17NO6S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-aminoethanol;ethoxy prop-2-enyl sulfate.

Molecular Properties

Compound Name2-aminoethanol;ethoxy prop-2-enyl sulfate
PubChem CID90391642
Molecular FormulaC7H17NO6S
Molecular Weight243.28 g/mol
Exact Mass243.08
IUPAC Name2-aminoethanol;ethoxy prop-2-enyl sulfate
SMILESC=CCOS(=O)(=O)OOCC.NCCO
InChIInChI=1S/C5H10O5S.C2H7NO/c1-3-5-9-11(6,7)10-8-4-2;3-1-2-4/h3H,1,4-5H2,2H3;4H,1-3H2
InChIKeyYHZMNQWHHNCNCQ-UHFFFAOYSA-N
XLogP-0.66
TPSA108.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;ethoxy prop-2-enyl sulfate?
The IUPAC name of 2-aminoethanol;ethoxy prop-2-enyl sulfate (CID 90391642) is 2-aminoethanol;ethoxy prop-2-enyl sulfate.
What is the SMILES notation for 2-aminoethanol;ethoxy prop-2-enyl sulfate?
The canonical SMILES for 2-aminoethanol;ethoxy prop-2-enyl sulfate is C=CCOS(=O)(=O)OOCC.NCCO.
What is the InChIKey of 2-aminoethanol;ethoxy prop-2-enyl sulfate?
The InChIKey is YHZMNQWHHNCNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O5S.C2H7NO/c1-3-5-9-11(6,7)10-8-4-2;3-1-2-4/h3H,1,4-5H2,2H3;4H,1-3H2.
What are the key properties of 2-aminoethanol;ethoxy prop-2-enyl sulfate?
2-aminoethanol;ethoxy prop-2-enyl sulfate has a molecular weight of 243.28 g/mol, XLogP of -0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;ethoxy prop-2-enyl sulfate is sourced from PubChem (CID 90391642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).