5-(1,2-dihydroxyethyl)-2,4-dihydroxyoxolan-3-one

C6H10O6 — CID 25203461

IUPAC5-(1,2-dihydroxyethyl)-2,4-dihydroxyoxolan-3-one
SMILESO=C1C(O)OC(C(O)CO)C1O
InChIInChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-3,5-9,11H,1H2
InChIKeyMTSKWRIATJSKFJ-UHFFFAOYSA-N
MW178.14 g/mol
LogP-3.01
Rot. Bonds2

About 5-(1,2-dihydroxyethyl)-2,4-dihydroxyoxolan-3-one

5-(1,2-dihydroxyethyl)-2,4-dihydroxyoxolan-3-one (PubChem CID 25203461) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is 5-(1,2-dihydroxyethyl)-2,4-dihydroxyoxolan-3-one.

Molecular Properties

Compound Name5-(1,2-dihydroxyethyl)-2,4-dihydroxyoxolan-3-one
PubChem CID25203461
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Name5-(1,2-dihydroxyethyl)-2,4-dihydroxyoxolan-3-one
SMILESO=C1C(O)OC(C(O)CO)C1O
InChIInChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-3,5-9,11H,1H2
InChIKeyMTSKWRIATJSKFJ-UHFFFAOYSA-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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Related Compounds

Pectin
CID 441476
D-Glucuronic Acid
CID 94715
Turanose
CID 5460935
D-Galacturonic Acid
CID 439215
beta-D-glucopyranuronic acid
CID 441478
alpha-D-GALACTURONIC ACID
CID 445929
alpha-D-Glucuronic acid
CID 444791
3-keto-beta-D-galactose
CID 440653
beta-D-Glucuronate
CID 11877136
Hexuronic Acid
CID 610
L-xylo-Hex-2-ulono-1,4-lactone
CID 439966
D-Glucopyranuronic acid, ion(1-)
CID 16740916

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dihydroxyethyl)-2,4-dihydroxyoxolan-3-one?
The IUPAC name of 5-(1,2-dihydroxyethyl)-2,4-dihydroxyoxolan-3-one (CID 25203461) is 5-(1,2-dihydroxyethyl)-2,4-dihydroxyoxolan-3-one.
What is the SMILES notation for 5-(1,2-dihydroxyethyl)-2,4-dihydroxyoxolan-3-one?
The canonical SMILES for 5-(1,2-dihydroxyethyl)-2,4-dihydroxyoxolan-3-one is O=C1C(O)OC(C(O)CO)C1O.
What is the InChIKey of 5-(1,2-dihydroxyethyl)-2,4-dihydroxyoxolan-3-one?
The InChIKey is MTSKWRIATJSKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-3,5-9,11H,1H2.
What are the key properties of 5-(1,2-dihydroxyethyl)-2,4-dihydroxyoxolan-3-one?
5-(1,2-dihydroxyethyl)-2,4-dihydroxyoxolan-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 5-(1,2-dihydroxyethyl)-2,4-dihydroxyoxolan-3-one is sourced from PubChem (CID 25203461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).