(3R,4R)-2,3,4-trihydroxyoxolane-2-carbaldehyde

C5H8O5 — CID 54574940

IUPAC(3R,4R)-2,3,4-trihydroxyoxolane-2-carbaldehyde
SMILESO=CC1(O)OC[C@@H](O)[C@H]1O
InChIInChI=1S/C5H8O5/c6-2-5(9)4(8)3(7)1-10-5/h2-4,7-9H,1H2/t3-,4-,5?/m1/s1
InChIKeyZZXLEJIKKHORGF-ZZKAVYKESA-N
MW148.11 g/mol
LogP-2.37
Rot. Bonds1

About (3R,4R)-2,3,4-trihydroxyoxolane-2-carbaldehyde

(3R,4R)-2,3,4-trihydroxyoxolane-2-carbaldehyde (PubChem CID 54574940) has the molecular formula C5H8O5 and a molecular weight of 148.11 g/mol. Its IUPAC name is (3R,4R)-2,3,4-trihydroxyoxolane-2-carbaldehyde.

Molecular Properties

Compound Name(3R,4R)-2,3,4-trihydroxyoxolane-2-carbaldehyde
PubChem CID54574940
Molecular FormulaC5H8O5
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name(3R,4R)-2,3,4-trihydroxyoxolane-2-carbaldehyde
SMILESO=CC1(O)OC[C@@H](O)[C@H]1O
InChIInChI=1S/C5H8O5/c6-2-5(9)4(8)3(7)1-10-5/h2-4,7-9H,1H2/t3-,4-,5?/m1/s1
InChIKeyZZXLEJIKKHORGF-ZZKAVYKESA-N
XLogP-2.37
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 5-2.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2,3,4-trihydroxyoxolane-2-carbaldehyde?
The IUPAC name of (3R,4R)-2,3,4-trihydroxyoxolane-2-carbaldehyde (CID 54574940) is (3R,4R)-2,3,4-trihydroxyoxolane-2-carbaldehyde.
What is the SMILES notation for (3R,4R)-2,3,4-trihydroxyoxolane-2-carbaldehyde?
The canonical SMILES for (3R,4R)-2,3,4-trihydroxyoxolane-2-carbaldehyde is O=CC1(O)OC[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4R)-2,3,4-trihydroxyoxolane-2-carbaldehyde?
The InChIKey is ZZXLEJIKKHORGF-ZZKAVYKESA-N. The full InChI is InChI=1S/C5H8O5/c6-2-5(9)4(8)3(7)1-10-5/h2-4,7-9H,1H2/t3-,4-,5?/m1/s1.
What are the key properties of (3R,4R)-2,3,4-trihydroxyoxolane-2-carbaldehyde?
(3R,4R)-2,3,4-trihydroxyoxolane-2-carbaldehyde has a molecular weight of 148.11 g/mol, XLogP of -2.37, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2,3,4-trihydroxyoxolane-2-carbaldehyde is sourced from PubChem (CID 54574940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).