oxirane;decakis(propane-1,2,3-triol)

C32H84O31 — CID 175473232

IUPACoxirane;decakis(propane-1,2,3-triol)
SMILESC1CO1.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO
InChIInChI=1S/10C3H8O3.C2H4O/c10*4-1-3(6)2-5;1-2-3-1/h10*3-6H,1-2H2;1-2H2
InChIKeyTVIMHPFKRFOZPL-UHFFFAOYSA-N
MW964.99 g/mol
LogP-16.66
Rot. Bonds20

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

oxirane;decakis(propane-1,2,3-triol) (PubChem CID 175473232) has the molecular formula C32H84O31 and a molecular weight of 964.99 g/mol. Its IUPAC name is oxirane;decakis(propane-1,2,3-triol).

Molecular Properties

Compound Nameoxirane;decakis(propane-1,2,3-triol)
PubChem CID175473232
Molecular FormulaC32H84O31
Molecular Weight964.99 g/mol
Exact Mass964.50
IUPAC Nameoxirane;decakis(propane-1,2,3-triol)
SMILESC1CO1.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO
InChIInChI=1S/10C3H8O3.C2H4O/c10*4-1-3(6)2-5;1-2-3-1/h10*3-6H,1-2H2;1-2H2
InChIKeyTVIMHPFKRFOZPL-UHFFFAOYSA-N
XLogP-16.66
TPSA619.43 Ų
H-Bond Donors30
H-Bond Acceptors31
Rotatable Bonds20
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500964.99
LogP ≤ 5-16.66
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1031

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 oxirane;decakis(propane-1,2,3-triol)?
The IUPAC name of oxirane;decakis(propane-1,2,3-triol) (CID 175473232) is oxirane;decakis(propane-1,2,3-triol).
What is the SMILES notation for oxirane;decakis(propane-1,2,3-triol)?
The canonical SMILES for oxirane;decakis(propane-1,2,3-triol) is C1CO1.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.
What is the InChIKey of oxirane;decakis(propane-1,2,3-triol)?
The InChIKey is TVIMHPFKRFOZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/10C3H8O3.C2H4O/c10*4-1-3(6)2-5;1-2-3-1/h10*3-6H,1-2H2;1-2H2.
What are the key properties of oxirane;decakis(propane-1,2,3-triol)?
oxirane;decakis(propane-1,2,3-triol) has a molecular weight of 964.99 g/mol, XLogP of -16.66, 20 rotatable bonds, 30 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for oxirane;decakis(propane-1,2,3-triol) is sourced from PubChem (CID 175473232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).