(2S,3S,4R,5R)-3,4,5-trihydroxyoxane-2-carbaldehyde

C6H10O5 — CID 165359373

IUPAC(2S,3S,4R,5R)-3,4,5-trihydroxyoxane-2-carbaldehyde
SMILESO=C[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h1,3-6,8-10H,2H2/t3-,4-,5-,6-/m1/s1
InChIKeyXRZIPPNVYYPJBM-KVTDHHQDSA-N
MW162.14 g/mol
LogP-2.33
Rot. Bonds1

About (2S,3S,4R,5R)-3,4,5-trihydroxyoxane-2-carbaldehyde

(2S,3S,4R,5R)-3,4,5-trihydroxyoxane-2-carbaldehyde (PubChem CID 165359373) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (2S,3S,4R,5R)-3,4,5-trihydroxyoxane-2-carbaldehyde.

Molecular Properties

Compound Name(2S,3S,4R,5R)-3,4,5-trihydroxyoxane-2-carbaldehyde
PubChem CID165359373
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(2S,3S,4R,5R)-3,4,5-trihydroxyoxane-2-carbaldehyde
SMILESO=C[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h1,3-6,8-10H,2H2/t3-,4-,5-,6-/m1/s1
InChIKeyXRZIPPNVYYPJBM-KVTDHHQDSA-N
XLogP-2.33
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-2.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S,3S,4R,5R)-3,4,5-trihydroxyoxane-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-3,4,5-trihydroxyoxane-2-carbaldehyde?
The IUPAC name of (2S,3S,4R,5R)-3,4,5-trihydroxyoxane-2-carbaldehyde (CID 165359373) is (2S,3S,4R,5R)-3,4,5-trihydroxyoxane-2-carbaldehyde.
What is the SMILES notation for (2S,3S,4R,5R)-3,4,5-trihydroxyoxane-2-carbaldehyde?
The canonical SMILES for (2S,3S,4R,5R)-3,4,5-trihydroxyoxane-2-carbaldehyde is O=C[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5R)-3,4,5-trihydroxyoxane-2-carbaldehyde?
The InChIKey is XRZIPPNVYYPJBM-KVTDHHQDSA-N. The full InChI is InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h1,3-6,8-10H,2H2/t3-,4-,5-,6-/m1/s1.
What are the key properties of (2S,3S,4R,5R)-3,4,5-trihydroxyoxane-2-carbaldehyde?
(2S,3S,4R,5R)-3,4,5-trihydroxyoxane-2-carbaldehyde has a molecular weight of 162.14 g/mol, XLogP of -2.33, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-3,4,5-trihydroxyoxane-2-carbaldehyde is sourced from PubChem (CID 165359373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).