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

C6H7O7- — CID 91825577

IUPAC(2S)-2-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetate
SMILESO=C([O-])[C@@H](O)[C@@H]1OC(=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)/p-1/t1-,2-,3+,4-/m1/s1
InChIKeyXECPAIJNBXCOBO-LKELSTGYSA-M
MW191.11 g/mol
LogP-4.26
Rot. Bonds2

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

(2S)-2-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetate (PubChem CID 91825577) has the molecular formula C6H7O7- and a molecular weight of 191.11 g/mol. Its IUPAC name is (2S)-2-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetate.

Molecular Properties

Compound Name(2S)-2-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetate
PubChem CID91825577
Molecular FormulaC6H7O7-
Molecular Weight191.11 g/mol
Exact Mass191.02
IUPAC Name(2S)-2-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetate
SMILESO=C([O-])[C@@H](O)[C@@H]1OC(=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)/p-1/t1-,2-,3+,4-/m1/s1
InChIKeyXECPAIJNBXCOBO-LKELSTGYSA-M
XLogP-4.26
TPSA127.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 5-4.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetate?
The IUPAC name of (2S)-2-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetate (CID 91825577) is (2S)-2-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetate.
What is the SMILES notation for (2S)-2-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetate?
The canonical SMILES for (2S)-2-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetate is O=C([O-])[C@@H](O)[C@@H]1OC(=O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S)-2-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetate?
The InChIKey is XECPAIJNBXCOBO-LKELSTGYSA-M. 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)/p-1/t1-,2-,3+,4-/m1/s1.
What are the key properties of (2S)-2-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetate?
(2S)-2-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetate has a molecular weight of 191.11 g/mol, XLogP of -4.26, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetate is sourced from PubChem (CID 91825577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).