(2R)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetic acid

C6H8O7 — CID 11873519

IUPAC(2R)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetic acid
SMILESO=C1O[C@H]([C@@H](O)C(=O)O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H8O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,7-9H,(H,10,11)/t1-,2-,3-,4+/m1/s1
InChIKeyXECPAIJNBXCOBO-AJSXGEPRSA-N
MW192.12 g/mol
LogP-2.92
Rot. Bonds2

About (2R)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetic acid

(2R)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetic acid (PubChem CID 11873519) has the molecular formula C6H8O7 and a molecular weight of 192.12 g/mol. Its IUPAC name is (2R)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2R)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetic acid
PubChem CID11873519
Molecular FormulaC6H8O7
Molecular Weight192.12 g/mol
Exact Mass192.03
IUPAC Name(2R)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetic acid
SMILESO=C1O[C@H]([C@@H](O)C(=O)O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H8O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,7-9H,(H,10,11)/t1-,2-,3-,4+/m1/s1
InChIKeyXECPAIJNBXCOBO-AJSXGEPRSA-N
XLogP-2.92
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.12
LogP ≤ 5-2.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetic acid?
The IUPAC name of (2R)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetic acid (CID 11873519) is (2R)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetic acid.
What is the SMILES notation for (2R)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetic acid?
The canonical SMILES for (2R)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetic acid is O=C1O[C@H]([C@@H](O)C(=O)O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetic acid?
The InChIKey is XECPAIJNBXCOBO-AJSXGEPRSA-N. The full InChI is InChI=1S/C6H8O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,7-9H,(H,10,11)/t1-,2-,3-,4+/m1/s1.
What are the key properties of (2R)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetic acid?
(2R)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetic acid has a molecular weight of 192.12 g/mol, XLogP of -2.92, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetic acid is sourced from PubChem (CID 11873519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).