(2R,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-one

C6H10O6 — CID 44602370

IUPAC(2R,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-one
SMILESO=C1[C@@H](CO)O[C@](O)(CO)[C@H]1O
InChIInChI=1S/C6H10O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3,5,7-8,10-11H,1-2H2/t3-,5+,6-/m1/s1
InChIKeyLAWYCIPOFYQBDZ-PQLUHFTBSA-N
MW178.14 g/mol
LogP-3.01
Rot. Bonds2

About (2R,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-one

(2R,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-one (PubChem CID 44602370) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is (2R,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-one.

Molecular Properties

Compound Name(2R,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-one
PubChem CID44602370
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Name(2R,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-one
SMILESO=C1[C@@H](CO)O[C@](O)(CO)[C@H]1O
InChIInChI=1S/C6H10O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3,5,7-8,10-11H,1-2H2/t3-,5+,6-/m1/s1
InChIKeyLAWYCIPOFYQBDZ-PQLUHFTBSA-N
XLogP-3.01
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-3.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-one?
The IUPAC name of (2R,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-one (CID 44602370) is (2R,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-one.
What is the SMILES notation for (2R,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-one?
The canonical SMILES for (2R,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-one is O=C1[C@@H](CO)O[C@](O)(CO)[C@H]1O.
What is the InChIKey of (2R,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-one?
The InChIKey is LAWYCIPOFYQBDZ-PQLUHFTBSA-N. The full InChI is InChI=1S/C6H10O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3,5,7-8,10-11H,1-2H2/t3-,5+,6-/m1/s1.
What are the key properties of (2R,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-one?
(2R,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-one has a molecular weight of 178.14 g/mol, XLogP of -3.01, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-one is sourced from PubChem (CID 44602370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).