bis(oxirane-2-carbaldehyde);propane-1,2,3-triol

C9H16O7 — CID 22507450

IUPACbis(oxirane-2-carbaldehyde);propane-1,2,3-triol
SMILESO=CC1CO1.O=CC1CO1.OCC(O)CO
InChIInChI=1S/C3H8O3.2C3H4O2/c4-1-3(6)2-5;2*4-1-3-2-5-3/h3-6H,1-2H2;2*1,3H,2H2
InChIKeyISDOQLOSSOKAFE-UHFFFAOYSA-N
MW236.22 g/mol
LogP-2.50
Rot. Bonds4

About bis(oxirane-2-carbaldehyde);propane-1,2,3-triol

bis(oxirane-2-carbaldehyde);propane-1,2,3-triol (PubChem CID 22507450) has the molecular formula C9H16O7 and a molecular weight of 236.22 g/mol. Its IUPAC name is bis(oxirane-2-carbaldehyde);propane-1,2,3-triol.

Molecular Properties

Compound Namebis(oxirane-2-carbaldehyde);propane-1,2,3-triol
PubChem CID22507450
Molecular FormulaC9H16O7
Molecular Weight236.22 g/mol
Exact Mass236.09
IUPAC Namebis(oxirane-2-carbaldehyde);propane-1,2,3-triol
SMILESO=CC1CO1.O=CC1CO1.OCC(O)CO
InChIInChI=1S/C3H8O3.2C3H4O2/c4-1-3(6)2-5;2*4-1-3-2-5-3/h3-6H,1-2H2;2*1,3H,2H2
InChIKeyISDOQLOSSOKAFE-UHFFFAOYSA-N
XLogP-2.50
TPSA119.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 5-2.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(oxirane-2-carbaldehyde);propane-1,2,3-triol?
The IUPAC name of bis(oxirane-2-carbaldehyde);propane-1,2,3-triol (CID 22507450) is bis(oxirane-2-carbaldehyde);propane-1,2,3-triol.
What is the SMILES notation for bis(oxirane-2-carbaldehyde);propane-1,2,3-triol?
The canonical SMILES for bis(oxirane-2-carbaldehyde);propane-1,2,3-triol is O=CC1CO1.O=CC1CO1.OCC(O)CO.
What is the InChIKey of bis(oxirane-2-carbaldehyde);propane-1,2,3-triol?
The InChIKey is ISDOQLOSSOKAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3.2C3H4O2/c4-1-3(6)2-5;2*4-1-3-2-5-3/h3-6H,1-2H2;2*1,3H,2H2.
What are the key properties of bis(oxirane-2-carbaldehyde);propane-1,2,3-triol?
bis(oxirane-2-carbaldehyde);propane-1,2,3-triol has a molecular weight of 236.22 g/mol, XLogP of -2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxirane-2-carbaldehyde);propane-1,2,3-triol is sourced from PubChem (CID 22507450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).