2-(3,4,5,6-tetrahydroxyoxan-2-yl)propanal

C8H14O6 — CID 122630065

IUPAC2-(3,4,5,6-tetrahydroxyoxan-2-yl)propanal
SMILESCC(C=O)C1OC(O)C(O)C(O)C1O
InChIInChI=1S/C8H14O6/c1-3(2-9)7-5(11)4(10)6(12)8(13)14-7/h2-8,10-13H,1H3
InChIKeyJEQIFSQBHOGUMO-UHFFFAOYSA-N
MW206.19 g/mol
LogP-2.38
Rot. Bonds2

About 2-(3,4,5,6-tetrahydroxyoxan-2-yl)propanal

2-(3,4,5,6-tetrahydroxyoxan-2-yl)propanal (PubChem CID 122630065) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is 2-(3,4,5,6-tetrahydroxyoxan-2-yl)propanal.

Molecular Properties

Compound Name2-(3,4,5,6-tetrahydroxyoxan-2-yl)propanal
PubChem CID122630065
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name2-(3,4,5,6-tetrahydroxyoxan-2-yl)propanal
SMILESCC(C=O)C1OC(O)C(O)C(O)C1O
InChIInChI=1S/C8H14O6/c1-3(2-9)7-5(11)4(10)6(12)8(13)14-7/h2-8,10-13H,1H3
InChIKeyJEQIFSQBHOGUMO-UHFFFAOYSA-N
XLogP-2.38
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-2.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5,6-tetrahydroxyoxan-2-yl)propanal?
The IUPAC name of 2-(3,4,5,6-tetrahydroxyoxan-2-yl)propanal (CID 122630065) is 2-(3,4,5,6-tetrahydroxyoxan-2-yl)propanal.
What is the SMILES notation for 2-(3,4,5,6-tetrahydroxyoxan-2-yl)propanal?
The canonical SMILES for 2-(3,4,5,6-tetrahydroxyoxan-2-yl)propanal is CC(C=O)C1OC(O)C(O)C(O)C1O.
What is the InChIKey of 2-(3,4,5,6-tetrahydroxyoxan-2-yl)propanal?
The InChIKey is JEQIFSQBHOGUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O6/c1-3(2-9)7-5(11)4(10)6(12)8(13)14-7/h2-8,10-13H,1H3.
What are the key properties of 2-(3,4,5,6-tetrahydroxyoxan-2-yl)propanal?
2-(3,4,5,6-tetrahydroxyoxan-2-yl)propanal has a molecular weight of 206.19 g/mol, XLogP of -2.38, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5,6-tetrahydroxyoxan-2-yl)propanal is sourced from PubChem (CID 122630065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).