(5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol

C6H12O5 — CID 89126678

IUPAC(5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol
SMILESOC[C@H]1OC(O)(CO)CC1O
InChIInChI=1S/C6H12O5/c7-2-5-4(9)1-6(10,3-8)11-5/h4-5,7-10H,1-3H2/t4?,5-,6?/m1/s1
InChIKeyFSOZSKCETOKJSE-INWUZDNDSA-N
MW164.16 g/mol
LogP-2.19
Rot. Bonds2

About (5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol

(5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol (PubChem CID 89126678) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is (5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol.

Molecular Properties

Compound Name(5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol
PubChem CID89126678
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name(5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol
SMILESOC[C@H]1OC(O)(CO)CC1O
InChIInChI=1S/C6H12O5/c7-2-5-4(9)1-6(10,3-8)11-5/h4-5,7-10H,1-3H2/t4?,5-,6?/m1/s1
InChIKeyFSOZSKCETOKJSE-INWUZDNDSA-N
XLogP-2.19
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol?
The IUPAC name of (5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol (CID 89126678) is (5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol.
What is the SMILES notation for (5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol?
The canonical SMILES for (5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol is OC[C@H]1OC(O)(CO)CC1O.
What is the InChIKey of (5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol?
The InChIKey is FSOZSKCETOKJSE-INWUZDNDSA-N. The full InChI is InChI=1S/C6H12O5/c7-2-5-4(9)1-6(10,3-8)11-5/h4-5,7-10H,1-3H2/t4?,5-,6?/m1/s1.
What are the key properties of (5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol?
(5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol has a molecular weight of 164.16 g/mol, XLogP of -2.19, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol is sourced from PubChem (CID 89126678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).