(4S,5R)-5-hydroxy-4-methoxydioxolane-3-carboxylic acid

C5H8O6 — CID 163414752

IUPAC(4S,5R)-5-hydroxy-4-methoxydioxolane-3-carboxylic acid
SMILESCO[C@H]1C(C(=O)O)OO[C@H]1O
InChIInChI=1S/C5H8O6/c1-9-3-2(4(6)7)10-11-5(3)8/h2-3,5,8H,1H3,(H,6,7)/t2?,3-,5+/m0/s1
InChIKeyADLDVIUBDJKNRC-LXDVUGSSSA-N
MW164.11 g/mol
LogP-1.27
Rot. Bonds2

About (4S,5R)-5-hydroxy-4-methoxydioxolane-3-carboxylic acid

(4S,5R)-5-hydroxy-4-methoxydioxolane-3-carboxylic acid (PubChem CID 163414752) has the molecular formula C5H8O6 and a molecular weight of 164.11 g/mol. Its IUPAC name is (4S,5R)-5-hydroxy-4-methoxydioxolane-3-carboxylic acid.

Molecular Properties

Compound Name(4S,5R)-5-hydroxy-4-methoxydioxolane-3-carboxylic acid
PubChem CID163414752
Molecular FormulaC5H8O6
Molecular Weight164.11 g/mol
Exact Mass164.03
IUPAC Name(4S,5R)-5-hydroxy-4-methoxydioxolane-3-carboxylic acid
SMILESCO[C@H]1C(C(=O)O)OO[C@H]1O
InChIInChI=1S/C5H8O6/c1-9-3-2(4(6)7)10-11-5(3)8/h2-3,5,8H,1H3,(H,6,7)/t2?,3-,5+/m0/s1
InChIKeyADLDVIUBDJKNRC-LXDVUGSSSA-N
XLogP-1.27
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.11
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-hydroxy-4-methoxydioxolane-3-carboxylic acid?
The IUPAC name of (4S,5R)-5-hydroxy-4-methoxydioxolane-3-carboxylic acid (CID 163414752) is (4S,5R)-5-hydroxy-4-methoxydioxolane-3-carboxylic acid.
What is the SMILES notation for (4S,5R)-5-hydroxy-4-methoxydioxolane-3-carboxylic acid?
The canonical SMILES for (4S,5R)-5-hydroxy-4-methoxydioxolane-3-carboxylic acid is CO[C@H]1C(C(=O)O)OO[C@H]1O.
What is the InChIKey of (4S,5R)-5-hydroxy-4-methoxydioxolane-3-carboxylic acid?
The InChIKey is ADLDVIUBDJKNRC-LXDVUGSSSA-N. The full InChI is InChI=1S/C5H8O6/c1-9-3-2(4(6)7)10-11-5(3)8/h2-3,5,8H,1H3,(H,6,7)/t2?,3-,5+/m0/s1.
What are the key properties of (4S,5R)-5-hydroxy-4-methoxydioxolane-3-carboxylic acid?
(4S,5R)-5-hydroxy-4-methoxydioxolane-3-carboxylic acid has a molecular weight of 164.11 g/mol, XLogP of -1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-hydroxy-4-methoxydioxolane-3-carboxylic acid is sourced from PubChem (CID 163414752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).