(2S)-2-hydroxy-2-[(2S,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]acetic acid

C6H10O7 — CID 11063290

IUPAC(2S)-2-hydroxy-2-[(2S,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]acetic acid
SMILESO=C(O)[C@@H](O)[C@H]1OC(O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H10O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4+,6?/m1/s1
InChIKeyOEVWLAOZEALENB-ISAMGBGPSA-N
MW194.14 g/mol
LogP-3.13
Rot. Bonds2

About (2S)-2-hydroxy-2-[(2S,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]acetic acid

(2S)-2-hydroxy-2-[(2S,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]acetic acid (PubChem CID 11063290) has the molecular formula C6H10O7 and a molecular weight of 194.14 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-[(2S,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]acetic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-[(2S,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]acetic acid
PubChem CID11063290
Molecular FormulaC6H10O7
Molecular Weight194.14 g/mol
Exact Mass194.04
IUPAC Name(2S)-2-hydroxy-2-[(2S,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]acetic acid
SMILESO=C(O)[C@@H](O)[C@H]1OC(O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H10O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4+,6?/m1/s1
InChIKeyOEVWLAOZEALENB-ISAMGBGPSA-N
XLogP-3.13
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 5-3.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-[(2S,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]acetic acid?
The IUPAC name of (2S)-2-hydroxy-2-[(2S,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]acetic acid (CID 11063290) is (2S)-2-hydroxy-2-[(2S,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]acetic acid.
What is the SMILES notation for (2S)-2-hydroxy-2-[(2S,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]acetic acid?
The canonical SMILES for (2S)-2-hydroxy-2-[(2S,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]acetic acid is O=C(O)[C@@H](O)[C@H]1OC(O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S)-2-hydroxy-2-[(2S,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]acetic acid?
The InChIKey is OEVWLAOZEALENB-ISAMGBGPSA-N. The full InChI is InChI=1S/C6H10O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4+,6?/m1/s1.
What are the key properties of (2S)-2-hydroxy-2-[(2S,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]acetic acid?
(2S)-2-hydroxy-2-[(2S,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]acetic acid has a molecular weight of 194.14 g/mol, XLogP of -3.13, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-[(2S,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]acetic acid is sourced from PubChem (CID 11063290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).