(2R,3R,4S)-2-(1,2-dihydroxyethyl)oxolane-2,3,4-triol

C6H12O6 — CID 130875054

IUPAC(2R,3R,4S)-2-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
SMILESOCC(O)[C@@]1(O)OC[C@H](O)[C@H]1O
InChIInChI=1S/C6H12O6/c7-1-4(9)6(11)5(10)3(8)2-12-6/h3-5,7-11H,1-2H2/t3-,4?,5+,6+/m0/s1
InChIKeyJKIAQWMSGAOABR-UQIFEBIISA-N
MW180.16 g/mol
LogP-3.22
Rot. Bonds2

About (2R,3R,4S)-2-(1,2-dihydroxyethyl)oxolane-2,3,4-triol

(2R,3R,4S)-2-(1,2-dihydroxyethyl)oxolane-2,3,4-triol (PubChem CID 130875054) has the molecular formula C6H12O6 and a molecular weight of 180.16 g/mol. Its IUPAC name is (2R,3R,4S)-2-(1,2-dihydroxyethyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name(2R,3R,4S)-2-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
PubChem CID130875054
Molecular FormulaC6H12O6
Molecular Weight180.16 g/mol
Exact Mass180.06
IUPAC Name(2R,3R,4S)-2-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
SMILESOCC(O)[C@@]1(O)OC[C@H](O)[C@H]1O
InChIInChI=1S/C6H12O6/c7-1-4(9)6(11)5(10)3(8)2-12-6/h3-5,7-11H,1-2H2/t3-,4?,5+,6+/m0/s1
InChIKeyJKIAQWMSGAOABR-UQIFEBIISA-N
XLogP-3.22
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-3.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[[(2S,3R,4R)-2,3,4-trihydroxyoxolan-2-yl]methylamino]propanoic acid
CID 100966866
(4S,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 71751872
(3S,4R,5S)-2-(hydroxymethyl)(513C)oxane-2,3,4,5-tetrol
CID 90472720
(4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 22814148
(2S,3R,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971021
(3R,4S)-2-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 131019383
(2R,3S,4S)-2-ethyl-2-(hydroxymethyl)oxolane-3,4-diol
CID 158000416
(4R,5S,6R)-2,7,8-trioxabicyclo[4.2.0]octane-1,4,5,6-tetrol
CID 141078298
(2R,4R,5R)-2-methyloxane-2,3,3,4,5-pentol
CID 102312079
1-(3-hydroxyoxolan-2-yl)ethane-1,2-diol
CID 14057266
(2S,3S,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol;(3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
CID 141491100
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroperoxy-5-hydroxyoxolane-2,3-dione
CID 57197029

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-2-(1,2-dihydroxyethyl)oxolane-2,3,4-triol?
The IUPAC name of (2R,3R,4S)-2-(1,2-dihydroxyethyl)oxolane-2,3,4-triol (CID 130875054) is (2R,3R,4S)-2-(1,2-dihydroxyethyl)oxolane-2,3,4-triol.
What is the SMILES notation for (2R,3R,4S)-2-(1,2-dihydroxyethyl)oxolane-2,3,4-triol?
The canonical SMILES for (2R,3R,4S)-2-(1,2-dihydroxyethyl)oxolane-2,3,4-triol is OCC(O)[C@@]1(O)OC[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S)-2-(1,2-dihydroxyethyl)oxolane-2,3,4-triol?
The InChIKey is JKIAQWMSGAOABR-UQIFEBIISA-N. The full InChI is InChI=1S/C6H12O6/c7-1-4(9)6(11)5(10)3(8)2-12-6/h3-5,7-11H,1-2H2/t3-,4?,5+,6+/m0/s1.
What are the key properties of (2R,3R,4S)-2-(1,2-dihydroxyethyl)oxolane-2,3,4-triol?
(2R,3R,4S)-2-(1,2-dihydroxyethyl)oxolane-2,3,4-triol has a molecular weight of 180.16 g/mol, XLogP of -3.22, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2-(1,2-dihydroxyethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 130875054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).