(2R,3S,5E)-2-(hydroxymethyl)-5-(hydroxymethylidene)oxan-3-ol

C7H12O4 — CID 67962139

IUPAC(2R,3S,5E)-2-(hydroxymethyl)-5-(hydroxymethylidene)oxan-3-ol
SMILESO/C=C1/CO[C@H](CO)[C@@H](O)C1
InChIInChI=1S/C7H12O4/c8-2-5-1-6(10)7(3-9)11-4-5/h2,6-10H,1,3-4H2/b5-2+/t6-,7+/m0/s1
InChIKeyAWZRKFRHLWZFRG-WWRPYRMMSA-N
MW160.17 g/mol
LogP-0.43
Rot. Bonds1

About (2R,3S,5E)-2-(hydroxymethyl)-5-(hydroxymethylidene)oxan-3-ol

(2R,3S,5E)-2-(hydroxymethyl)-5-(hydroxymethylidene)oxan-3-ol (PubChem CID 67962139) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is (2R,3S,5E)-2-(hydroxymethyl)-5-(hydroxymethylidene)oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,5E)-2-(hydroxymethyl)-5-(hydroxymethylidene)oxan-3-ol
PubChem CID67962139
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name(2R,3S,5E)-2-(hydroxymethyl)-5-(hydroxymethylidene)oxan-3-ol
SMILESO/C=C1/CO[C@H](CO)[C@@H](O)C1
InChIInChI=1S/C7H12O4/c8-2-5-1-6(10)7(3-9)11-4-5/h2,6-10H,1,3-4H2/b5-2+/t6-,7+/m0/s1
InChIKeyAWZRKFRHLWZFRG-WWRPYRMMSA-N
XLogP-0.43
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5E)-2-(hydroxymethyl)-5-(hydroxymethylidene)oxan-3-ol?
The IUPAC name of (2R,3S,5E)-2-(hydroxymethyl)-5-(hydroxymethylidene)oxan-3-ol (CID 67962139) is (2R,3S,5E)-2-(hydroxymethyl)-5-(hydroxymethylidene)oxan-3-ol.
What is the SMILES notation for (2R,3S,5E)-2-(hydroxymethyl)-5-(hydroxymethylidene)oxan-3-ol?
The canonical SMILES for (2R,3S,5E)-2-(hydroxymethyl)-5-(hydroxymethylidene)oxan-3-ol is O/C=C1/CO[C@H](CO)[C@@H](O)C1.
What is the InChIKey of (2R,3S,5E)-2-(hydroxymethyl)-5-(hydroxymethylidene)oxan-3-ol?
The InChIKey is AWZRKFRHLWZFRG-WWRPYRMMSA-N. The full InChI is InChI=1S/C7H12O4/c8-2-5-1-6(10)7(3-9)11-4-5/h2,6-10H,1,3-4H2/b5-2+/t6-,7+/m0/s1.
What are the key properties of (2R,3S,5E)-2-(hydroxymethyl)-5-(hydroxymethylidene)oxan-3-ol?
(2R,3S,5E)-2-(hydroxymethyl)-5-(hydroxymethylidene)oxan-3-ol has a molecular weight of 160.17 g/mol, XLogP of -0.43, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5E)-2-(hydroxymethyl)-5-(hydroxymethylidene)oxan-3-ol is sourced from PubChem (CID 67962139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).