(5R)-5-[(1S)-2-hydroxy-1-methoxyethyl]oxolane-2,3,4-trione

C7H8O6 — CID 89347160

IUPAC(5R)-5-[(1S)-2-hydroxy-1-methoxyethyl]oxolane-2,3,4-trione
SMILESCO[C@@H](CO)[C@H]1OC(=O)C(=O)C1=O
InChIInChI=1S/C7H8O6/c1-12-3(2-8)6-4(9)5(10)7(11)13-6/h3,6,8H,2H2,1H3/t3-,6+/m0/s1
InChIKeyFDFIWIHUISGENP-BBIVZNJYSA-N
MW188.13 g/mol
LogP-1.94
Rot. Bonds3

About (5R)-5-[(1S)-2-hydroxy-1-methoxyethyl]oxolane-2,3,4-trione

(5R)-5-[(1S)-2-hydroxy-1-methoxyethyl]oxolane-2,3,4-trione (PubChem CID 89347160) has the molecular formula C7H8O6 and a molecular weight of 188.13 g/mol. Its IUPAC name is (5R)-5-[(1S)-2-hydroxy-1-methoxyethyl]oxolane-2,3,4-trione.

Molecular Properties

Compound Name(5R)-5-[(1S)-2-hydroxy-1-methoxyethyl]oxolane-2,3,4-trione
PubChem CID89347160
Molecular FormulaC7H8O6
Molecular Weight188.13 g/mol
Exact Mass188.03
IUPAC Name(5R)-5-[(1S)-2-hydroxy-1-methoxyethyl]oxolane-2,3,4-trione
SMILESCO[C@@H](CO)[C@H]1OC(=O)C(=O)C1=O
InChIInChI=1S/C7H8O6/c1-12-3(2-8)6-4(9)5(10)7(11)13-6/h3,6,8H,2H2,1H3/t3-,6+/m0/s1
InChIKeyFDFIWIHUISGENP-BBIVZNJYSA-N
XLogP-1.94
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 5-1.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Glucuronolactone
CID 92283
Dehydroascorbic Acid
CID 440667
D-Galactono-1,4-Lactone
CID 97165
L-Gulonic acid, gamma-lactone
CID 439373
D-glucaro-1,4-lactone
CID 122306
L-galactono-1,4-lactone
CID 6857365
Galactono-gamma-lactone
CID 151006
Gulonolactone
CID 165105
GlyTouCan:G63727IH
CID 1149778
D-glucaro-1,5-lactone
CID 46926211
Dehydroascorbate (bicyclic
CID 835
D-Glucoheptono-1,4-lactone
CID 108880

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1S)-2-hydroxy-1-methoxyethyl]oxolane-2,3,4-trione?
The IUPAC name of (5R)-5-[(1S)-2-hydroxy-1-methoxyethyl]oxolane-2,3,4-trione (CID 89347160) is (5R)-5-[(1S)-2-hydroxy-1-methoxyethyl]oxolane-2,3,4-trione.
What is the SMILES notation for (5R)-5-[(1S)-2-hydroxy-1-methoxyethyl]oxolane-2,3,4-trione?
The canonical SMILES for (5R)-5-[(1S)-2-hydroxy-1-methoxyethyl]oxolane-2,3,4-trione is CO[C@@H](CO)[C@H]1OC(=O)C(=O)C1=O.
What is the InChIKey of (5R)-5-[(1S)-2-hydroxy-1-methoxyethyl]oxolane-2,3,4-trione?
The InChIKey is FDFIWIHUISGENP-BBIVZNJYSA-N. The full InChI is InChI=1S/C7H8O6/c1-12-3(2-8)6-4(9)5(10)7(11)13-6/h3,6,8H,2H2,1H3/t3-,6+/m0/s1.
What are the key properties of (5R)-5-[(1S)-2-hydroxy-1-methoxyethyl]oxolane-2,3,4-trione?
(5R)-5-[(1S)-2-hydroxy-1-methoxyethyl]oxolane-2,3,4-trione has a molecular weight of 188.13 g/mol, XLogP of -1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1S)-2-hydroxy-1-methoxyethyl]oxolane-2,3,4-trione is sourced from PubChem (CID 89347160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).