(2R,5R)-2-hydroxy-2,5-bis(hydroxymethyl)oxolane-3,4-dione

C6H8O6 — CID 11987831

IUPAC(2R,5R)-2-hydroxy-2,5-bis(hydroxymethyl)oxolane-3,4-dione
SMILESO=C1C(=O)[C@@](O)(CO)O[C@@H]1CO
InChIInChI=1S/C6H8O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3,7-8,11H,1-2H2/t3-,6-/m1/s1
InChIKeyYMORQEOGXUAETC-AWFVSMACSA-N
MW176.12 g/mol
LogP-2.80
Rot. Bonds2

About (2R,5R)-2-hydroxy-2,5-bis(hydroxymethyl)oxolane-3,4-dione

(2R,5R)-2-hydroxy-2,5-bis(hydroxymethyl)oxolane-3,4-dione (PubChem CID 11987831) has the molecular formula C6H8O6 and a molecular weight of 176.12 g/mol. Its IUPAC name is (2R,5R)-2-hydroxy-2,5-bis(hydroxymethyl)oxolane-3,4-dione.

Molecular Properties

Compound Name(2R,5R)-2-hydroxy-2,5-bis(hydroxymethyl)oxolane-3,4-dione
PubChem CID11987831
Molecular FormulaC6H8O6
Molecular Weight176.12 g/mol
Exact Mass176.03
IUPAC Name(2R,5R)-2-hydroxy-2,5-bis(hydroxymethyl)oxolane-3,4-dione
SMILESO=C1C(=O)[C@@](O)(CO)O[C@@H]1CO
InChIInChI=1S/C6H8O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3,7-8,11H,1-2H2/t3-,6-/m1/s1
InChIKeyYMORQEOGXUAETC-AWFVSMACSA-N
XLogP-2.80
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 5-2.80
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-hydroxy-2,5-bis(hydroxymethyl)oxolane-3,4-dione?
The IUPAC name of (2R,5R)-2-hydroxy-2,5-bis(hydroxymethyl)oxolane-3,4-dione (CID 11987831) is (2R,5R)-2-hydroxy-2,5-bis(hydroxymethyl)oxolane-3,4-dione.
What is the SMILES notation for (2R,5R)-2-hydroxy-2,5-bis(hydroxymethyl)oxolane-3,4-dione?
The canonical SMILES for (2R,5R)-2-hydroxy-2,5-bis(hydroxymethyl)oxolane-3,4-dione is O=C1C(=O)[C@@](O)(CO)O[C@@H]1CO.
What is the InChIKey of (2R,5R)-2-hydroxy-2,5-bis(hydroxymethyl)oxolane-3,4-dione?
The InChIKey is YMORQEOGXUAETC-AWFVSMACSA-N. The full InChI is InChI=1S/C6H8O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3,7-8,11H,1-2H2/t3-,6-/m1/s1.
What are the key properties of (2R,5R)-2-hydroxy-2,5-bis(hydroxymethyl)oxolane-3,4-dione?
(2R,5R)-2-hydroxy-2,5-bis(hydroxymethyl)oxolane-3,4-dione has a molecular weight of 176.12 g/mol, XLogP of -2.80, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-hydroxy-2,5-bis(hydroxymethyl)oxolane-3,4-dione is sourced from PubChem (CID 11987831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).