(2R,3S,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-2,3,4-triol

C6H12O5 — CID 15559441

IUPAC(2R,3S,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-2,3,4-triol
SMILESC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O5/c1-3-4(8)5(9)6(10,2-7)11-3/h3-5,7-10H,2H2,1H3/t3-,4-,5+,6-/m1/s1
InChIKeyCJJCPDZKQKUXSS-ARQDHWQXSA-N
MW164.16 g/mol
LogP-2.19
Rot. Bonds1

About (2R,3S,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-2,3,4-triol

(2R,3S,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-2,3,4-triol (PubChem CID 15559441) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-2,3,4-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-2,3,4-triol
PubChem CID15559441
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name(2R,3S,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-2,3,4-triol
SMILESC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H12O5/c1-3-4(8)5(9)6(10,2-7)11-3/h3-5,7-10H,2H2,1H3/t3-,4-,5+,6-/m1/s1
InChIKeyCJJCPDZKQKUXSS-ARQDHWQXSA-N
XLogP-2.19
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
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 (2R,3S,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-2,3,4-triol?
The IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-2,3,4-triol (CID 15559441) is (2R,3S,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-2,3,4-triol.
What is the SMILES notation for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-2,3,4-triol?
The canonical SMILES for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-2,3,4-triol is C[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-2,3,4-triol?
The InChIKey is CJJCPDZKQKUXSS-ARQDHWQXSA-N. The full InChI is InChI=1S/C6H12O5/c1-3-4(8)5(9)6(10,2-7)11-3/h3-5,7-10H,2H2,1H3/t3-,4-,5+,6-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-2,3,4-triol?
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-2,3,4-triol has a molecular weight of 164.16 g/mol, XLogP of -2.19, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-2,3,4-triol is sourced from PubChem (CID 15559441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).