(5S)-5-(1,2-dihydroxyethyl)-3,3,4,4-tetrahydroxyoxolan-2-one

C6H10O8 — CID 171620318

IUPAC(5S)-5-(1,2-dihydroxyethyl)-3,3,4,4-tetrahydroxyoxolan-2-one
SMILESO=C1O[C@@H](C(O)CO)C(O)(O)C1(O)O
InChIInChI=1S/C6H10O8/c7-1-2(8)3-5(10,11)6(12,13)4(9)14-3/h2-3,7-8,10-13H,1H2/t2?,3-/m0/s1
InChIKeyXGWYJUFLMSTPDO-NFJMKROFSA-N
MW210.14 g/mol
LogP-4.37
Rot. Bonds2

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

(5S)-5-(1,2-dihydroxyethyl)-3,3,4,4-tetrahydroxyoxolan-2-one (PubChem CID 171620318) has the molecular formula C6H10O8 and a molecular weight of 210.14 g/mol. Its IUPAC name is (5S)-5-(1,2-dihydroxyethyl)-3,3,4,4-tetrahydroxyoxolan-2-one.

Molecular Properties

Compound Name(5S)-5-(1,2-dihydroxyethyl)-3,3,4,4-tetrahydroxyoxolan-2-one
PubChem CID171620318
Molecular FormulaC6H10O8
Molecular Weight210.14 g/mol
Exact Mass210.04
IUPAC Name(5S)-5-(1,2-dihydroxyethyl)-3,3,4,4-tetrahydroxyoxolan-2-one
SMILESO=C1O[C@@H](C(O)CO)C(O)(O)C1(O)O
InChIInChI=1S/C6H10O8/c7-1-2(8)3-5(10,11)6(12,13)4(9)14-3/h2-3,7-8,10-13H,1H2/t2?,3-/m0/s1
InChIKeyXGWYJUFLMSTPDO-NFJMKROFSA-N
XLogP-4.37
TPSA147.68 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.14
LogP ≤ 5-4.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(1,2-dihydroxyethyl)-3,3,4,4-tetrahydroxyoxolan-2-one?
The IUPAC name of (5S)-5-(1,2-dihydroxyethyl)-3,3,4,4-tetrahydroxyoxolan-2-one (CID 171620318) is (5S)-5-(1,2-dihydroxyethyl)-3,3,4,4-tetrahydroxyoxolan-2-one.
What is the SMILES notation for (5S)-5-(1,2-dihydroxyethyl)-3,3,4,4-tetrahydroxyoxolan-2-one?
The canonical SMILES for (5S)-5-(1,2-dihydroxyethyl)-3,3,4,4-tetrahydroxyoxolan-2-one is O=C1O[C@@H](C(O)CO)C(O)(O)C1(O)O.
What is the InChIKey of (5S)-5-(1,2-dihydroxyethyl)-3,3,4,4-tetrahydroxyoxolan-2-one?
The InChIKey is XGWYJUFLMSTPDO-NFJMKROFSA-N. The full InChI is InChI=1S/C6H10O8/c7-1-2(8)3-5(10,11)6(12,13)4(9)14-3/h2-3,7-8,10-13H,1H2/t2?,3-/m0/s1.
What are the key properties of (5S)-5-(1,2-dihydroxyethyl)-3,3,4,4-tetrahydroxyoxolan-2-one?
(5S)-5-(1,2-dihydroxyethyl)-3,3,4,4-tetrahydroxyoxolan-2-one has a molecular weight of 210.14 g/mol, XLogP of -4.37, 2 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(1,2-dihydroxyethyl)-3,3,4,4-tetrahydroxyoxolan-2-one is sourced from PubChem (CID 171620318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).