(2R,4S,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid

C8H14O7 — CID 131858123

IUPAC(2R,4S,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H](O)[C@@H](O)[C@H]([C@H](O)CO)O1
InChIInChI=1S/C8H14O7/c9-2-4(11)7-6(12)3(10)1-5(15-7)8(13)14/h3-7,9-12H,1-2H2,(H,13,14)/t3-,4+,5+,6+,7-/m0/s1
InChIKeyANWKOKWAJKGXFO-CJZRUXIPSA-N
MW222.19 g/mol
LogP-2.70
Rot. Bonds3

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

(2R,4S,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid (PubChem CID 131858123) has the molecular formula C8H14O7 and a molecular weight of 222.19 g/mol. Its IUPAC name is (2R,4S,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid
PubChem CID131858123
Molecular FormulaC8H14O7
Molecular Weight222.19 g/mol
Exact Mass222.07
IUPAC Name(2R,4S,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H](O)[C@@H](O)[C@H]([C@H](O)CO)O1
InChIInChI=1S/C8H14O7/c9-2-4(11)7-6(12)3(10)1-5(15-7)8(13)14/h3-7,9-12H,1-2H2,(H,13,14)/t3-,4+,5+,6+,7-/m0/s1
InChIKeyANWKOKWAJKGXFO-CJZRUXIPSA-N
XLogP-2.70
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 5-2.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

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Related Compounds

azanium (2S,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylate
CID 70439617
(4R,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,4,5-triol
CID 155565939
(2S,4R,5R,6R)-6-[(1R)-2-azaniumyl-1-hydroxyethyl]-4,5-dihydroxyoxane-2-carboxylate
CID 54758673
(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid
CID 101368145
2-amino-2-[5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetic acid
CID 146516962
(2S,3S,4S)-2-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 11073753
(4R,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid
CID 155539835
(2R,4R)-6-(1,2-dihydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylic acid
CID 174067243
(2R,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 137349473
(2S,3S,4S,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 67949243
(2R,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 129307306
(3R,4R,5R)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 15560221

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid?
The IUPAC name of (2R,4S,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid (CID 131858123) is (2R,4S,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid.
What is the SMILES notation for (2R,4S,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid?
The canonical SMILES for (2R,4S,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid is O=C(O)[C@H]1C[C@H](O)[C@@H](O)[C@H]([C@H](O)CO)O1.
What is the InChIKey of (2R,4S,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid?
The InChIKey is ANWKOKWAJKGXFO-CJZRUXIPSA-N. The full InChI is InChI=1S/C8H14O7/c9-2-4(11)7-6(12)3(10)1-5(15-7)8(13)14/h3-7,9-12H,1-2H2,(H,13,14)/t3-,4+,5+,6+,7-/m0/s1.
What are the key properties of (2R,4S,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid?
(2R,4S,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid has a molecular weight of 222.19 g/mol, XLogP of -2.70, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 131858123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).