(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-2,5-dihydroxy-4-methoxyoxane-2-carboxylic acid

C9H16O8 — CID 163184894

IUPAC(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-2,5-dihydroxy-4-methoxyoxane-2-carboxylic acid
SMILESCO[C@@H]1C[C@](O)(C(=O)O)O[C@H]([C@H](O)CO)[C@@H]1O
InChIInChI=1S/C9H16O8/c1-16-5-2-9(15,8(13)14)17-7(6(5)12)4(11)3-10/h4-7,10-12,15H,2-3H2,1H3,(H,13,14)/t4-,5-,6-,7-,9-/m1/s1
InChIKeyWLRWVSRKOWICBL-DMKSXPFUSA-N
MW252.22 g/mol
LogP-2.72
Rot. Bonds4

About (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-2,5-dihydroxy-4-methoxyoxane-2-carboxylic acid

(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-2,5-dihydroxy-4-methoxyoxane-2-carboxylic acid (PubChem CID 163184894) has the molecular formula C9H16O8 and a molecular weight of 252.22 g/mol. Its IUPAC name is (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-2,5-dihydroxy-4-methoxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-2,5-dihydroxy-4-methoxyoxane-2-carboxylic acid
PubChem CID163184894
Molecular FormulaC9H16O8
Molecular Weight252.22 g/mol
Exact Mass252.08
IUPAC Name(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-2,5-dihydroxy-4-methoxyoxane-2-carboxylic acid
SMILESCO[C@@H]1C[C@](O)(C(=O)O)O[C@H]([C@H](O)CO)[C@@H]1O
InChIInChI=1S/C9H16O8/c1-16-5-2-9(15,8(13)14)17-7(6(5)12)4(11)3-10/h4-7,10-12,15H,2-3H2,1H3,(H,13,14)/t4-,5-,6-,7-,9-/m1/s1
InChIKeyWLRWVSRKOWICBL-DMKSXPFUSA-N
XLogP-2.72
TPSA136.68 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 5-2.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-2,5-dihydroxy-4-methoxyoxane-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-2,5-dihydroxy-4-methoxyoxane-2-carboxylic acid?
The IUPAC name of (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-2,5-dihydroxy-4-methoxyoxane-2-carboxylic acid (CID 163184894) is (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-2,5-dihydroxy-4-methoxyoxane-2-carboxylic acid.
What is the SMILES notation for (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-2,5-dihydroxy-4-methoxyoxane-2-carboxylic acid?
The canonical SMILES for (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-2,5-dihydroxy-4-methoxyoxane-2-carboxylic acid is CO[C@@H]1C[C@](O)(C(=O)O)O[C@H]([C@H](O)CO)[C@@H]1O.
What is the InChIKey of (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-2,5-dihydroxy-4-methoxyoxane-2-carboxylic acid?
The InChIKey is WLRWVSRKOWICBL-DMKSXPFUSA-N. The full InChI is InChI=1S/C9H16O8/c1-16-5-2-9(15,8(13)14)17-7(6(5)12)4(11)3-10/h4-7,10-12,15H,2-3H2,1H3,(H,13,14)/t4-,5-,6-,7-,9-/m1/s1.
What are the key properties of (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-2,5-dihydroxy-4-methoxyoxane-2-carboxylic acid?
(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-2,5-dihydroxy-4-methoxyoxane-2-carboxylic acid has a molecular weight of 252.22 g/mol, XLogP of -2.72, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-2,5-dihydroxy-4-methoxyoxane-2-carboxylic acid is sourced from PubChem (CID 163184894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).