(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol

C6H12O5 — CID 173365188

IUPAC(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
SMILESOCC1O[C@@H](CO)[C@H](O)[C@H]1O
InChIInChI=1S/C6H12O5/c7-1-3-5(9)6(10)4(2-8)11-3/h3-10H,1-2H2/t3-,4?,5-,6-/m0/s1
InChIKeyMCHWWJLLPNDHGL-DQBDMIDPSA-N
MW164.16 g/mol
LogP-2.54
Rot. Bonds2

About (2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol

(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol (PubChem CID 173365188) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is (2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
PubChem CID173365188
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
SMILESOCC1O[C@@H](CO)[C@H](O)[C@H]1O
InChIInChI=1S/C6H12O5/c7-1-3-5(9)6(10)4(2-8)11-3/h3-10H,1-2H2/t3-,4?,5-,6-/m0/s1
InChIKeyMCHWWJLLPNDHGL-DQBDMIDPSA-N
XLogP-2.54
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 ≤ 5-2.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
CID 59615653
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol (CID 173365188) is (2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol is OCC1O[C@@H](CO)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is MCHWWJLLPNDHGL-DQBDMIDPSA-N. The full InChI is InChI=1S/C6H12O5/c7-1-3-5(9)6(10)4(2-8)11-3/h3-10H,1-2H2/t3-,4?,5-,6-/m0/s1.
What are the key properties of (2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 164.16 g/mol, XLogP of -2.54, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 173365188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).