(3R,5R)-5-[(1R)-1-hydroxyethyl]oxolane-2,3-diol

C6H12O4 — CID 175800512

IUPAC(3R,5R)-5-[(1R)-1-hydroxyethyl]oxolane-2,3-diol
SMILESC[C@@H](O)[C@H]1C[C@@H](O)C(O)O1
InChIInChI=1S/C6H12O4/c1-3(7)5-2-4(8)6(9)10-5/h3-9H,2H2,1H3/t3-,4-,5-,6?/m1/s1
InChIKeyVVCMLTYXIKUWRA-JDJSBBGDSA-N
MW148.16 g/mol
LogP-1.16
Rot. Bonds1

About (3R,5R)-5-[(1R)-1-hydroxyethyl]oxolane-2,3-diol

(3R,5R)-5-[(1R)-1-hydroxyethyl]oxolane-2,3-diol (PubChem CID 175800512) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is (3R,5R)-5-[(1R)-1-hydroxyethyl]oxolane-2,3-diol.

Molecular Properties

Compound Name(3R,5R)-5-[(1R)-1-hydroxyethyl]oxolane-2,3-diol
PubChem CID175800512
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name(3R,5R)-5-[(1R)-1-hydroxyethyl]oxolane-2,3-diol
SMILESC[C@@H](O)[C@H]1C[C@@H](O)C(O)O1
InChIInChI=1S/C6H12O4/c1-3(7)5-2-4(8)6(9)10-5/h3-9H,2H2,1H3/t3-,4-,5-,6?/m1/s1
InChIKeyVVCMLTYXIKUWRA-JDJSBBGDSA-N
XLogP-1.16
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[(1R)-1-hydroxyethyl]oxolane-2,3-diol?
The IUPAC name of (3R,5R)-5-[(1R)-1-hydroxyethyl]oxolane-2,3-diol (CID 175800512) is (3R,5R)-5-[(1R)-1-hydroxyethyl]oxolane-2,3-diol.
What is the SMILES notation for (3R,5R)-5-[(1R)-1-hydroxyethyl]oxolane-2,3-diol?
The canonical SMILES for (3R,5R)-5-[(1R)-1-hydroxyethyl]oxolane-2,3-diol is C[C@@H](O)[C@H]1C[C@@H](O)C(O)O1.
What is the InChIKey of (3R,5R)-5-[(1R)-1-hydroxyethyl]oxolane-2,3-diol?
The InChIKey is VVCMLTYXIKUWRA-JDJSBBGDSA-N. The full InChI is InChI=1S/C6H12O4/c1-3(7)5-2-4(8)6(9)10-5/h3-9H,2H2,1H3/t3-,4-,5-,6?/m1/s1.
What are the key properties of (3R,5R)-5-[(1R)-1-hydroxyethyl]oxolane-2,3-diol?
(3R,5R)-5-[(1R)-1-hydroxyethyl]oxolane-2,3-diol has a molecular weight of 148.16 g/mol, XLogP of -1.16, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[(1R)-1-hydroxyethyl]oxolane-2,3-diol is sourced from PubChem (CID 175800512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).