ethane-1,2-diol;bis(oxirane-2-carboxylic acid)

C8H14O8 — CID 87883569

IUPACethane-1,2-diol;bis(oxirane-2-carboxylic acid)
SMILESO=C(O)C1CO1.O=C(O)C1CO1.OCCO
InChIInChI=1S/2C3H4O3.C2H6O2/c2*4-3(5)2-1-6-2;3-1-2-4/h2*2H,1H2,(H,4,5);3-4H,1-2H2
InChIKeyWZHVCMKFRRSZKK-UHFFFAOYSA-N
MW238.19 g/mol
LogP-2.09
Rot. Bonds3

About ethane-1,2-diol;bis(oxirane-2-carboxylic acid)

ethane-1,2-diol;bis(oxirane-2-carboxylic acid) (PubChem CID 87883569) has the molecular formula C8H14O8 and a molecular weight of 238.19 g/mol. Its IUPAC name is ethane-1,2-diol;bis(oxirane-2-carboxylic acid).

Molecular Properties

Compound Nameethane-1,2-diol;bis(oxirane-2-carboxylic acid)
PubChem CID87883569
Molecular FormulaC8H14O8
Molecular Weight238.19 g/mol
Exact Mass238.07
IUPAC Nameethane-1,2-diol;bis(oxirane-2-carboxylic acid)
SMILESO=C(O)C1CO1.O=C(O)C1CO1.OCCO
InChIInChI=1S/2C3H4O3.C2H6O2/c2*4-3(5)2-1-6-2;3-1-2-4/h2*2H,1H2,(H,4,5);3-4H,1-2H2
InChIKeyWZHVCMKFRRSZKK-UHFFFAOYSA-N
XLogP-2.09
TPSA140.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;bis(oxirane-2-carboxylic acid)?
The IUPAC name of ethane-1,2-diol;bis(oxirane-2-carboxylic acid) (CID 87883569) is ethane-1,2-diol;bis(oxirane-2-carboxylic acid).
What is the SMILES notation for ethane-1,2-diol;bis(oxirane-2-carboxylic acid)?
The canonical SMILES for ethane-1,2-diol;bis(oxirane-2-carboxylic acid) is O=C(O)C1CO1.O=C(O)C1CO1.OCCO.
What is the InChIKey of ethane-1,2-diol;bis(oxirane-2-carboxylic acid)?
The InChIKey is WZHVCMKFRRSZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H4O3.C2H6O2/c2*4-3(5)2-1-6-2;3-1-2-4/h2*2H,1H2,(H,4,5);3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;bis(oxirane-2-carboxylic acid)?
ethane-1,2-diol;bis(oxirane-2-carboxylic acid) has a molecular weight of 238.19 g/mol, XLogP of -2.09, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;bis(oxirane-2-carboxylic acid) is sourced from PubChem (CID 87883569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).