(3R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-hydroxyoxolan-2-one

C6H10O5 — CID 15560245

IUPAC(3R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-hydroxyoxolan-2-one
SMILESO=C1O[C@H]([C@H](O)CO)C[C@H]1O
InChIInChI=1S/C6H10O5/c7-2-4(9)5-1-3(8)6(10)11-5/h3-5,7-9H,1-2H2/t3-,4-,5+/m1/s1
InChIKeyNSEFGBGANVMEIR-WDCZJNDASA-N
MW162.14 g/mol
LogP-1.98
Rot. Bonds2

About (3R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-hydroxyoxolan-2-one

(3R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-hydroxyoxolan-2-one (PubChem CID 15560245) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (3R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-hydroxyoxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-hydroxyoxolan-2-one
PubChem CID15560245
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(3R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-hydroxyoxolan-2-one
SMILESO=C1O[C@H]([C@H](O)CO)C[C@H]1O
InChIInChI=1S/C6H10O5/c7-2-4(9)5-1-3(8)6(10)11-5/h3-5,7-9H,1-2H2/t3-,4-,5+/m1/s1
InChIKeyNSEFGBGANVMEIR-WDCZJNDASA-N
XLogP-1.98
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-1.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-hydroxyoxolan-2-one?
The IUPAC name of (3R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-hydroxyoxolan-2-one (CID 15560245) is (3R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-hydroxyoxolan-2-one.
What is the SMILES notation for (3R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-hydroxyoxolan-2-one?
The canonical SMILES for (3R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-hydroxyoxolan-2-one is O=C1O[C@H]([C@H](O)CO)C[C@H]1O.
What is the InChIKey of (3R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-hydroxyoxolan-2-one?
The InChIKey is NSEFGBGANVMEIR-WDCZJNDASA-N. The full InChI is InChI=1S/C6H10O5/c7-2-4(9)5-1-3(8)6(10)11-5/h3-5,7-9H,1-2H2/t3-,4-,5+/m1/s1.
What are the key properties of (3R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-hydroxyoxolan-2-one?
(3R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-hydroxyoxolan-2-one has a molecular weight of 162.14 g/mol, XLogP of -1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-hydroxyoxolan-2-one is sourced from PubChem (CID 15560245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).