2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

C9H16O7 — CID 134892533

IUPAC2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILESO=C(O)C1(O)CCCC([C@H](O)[C@H](O)CO)O1
InChIInChI=1S/C9H16O7/c10-4-5(11)7(12)6-2-1-3-9(15,16-6)8(13)14/h5-7,10-12,15H,1-4H2,(H,13,14)/t5-,6?,7-,9?/m1/s1
InChIKeyZUYZBMUPYXMXFR-DOBFWROPSA-N
MW236.22 g/mol
LogP-1.96
Rot. Bonds4

About 2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (PubChem CID 134892533) has the molecular formula C9H16O7 and a molecular weight of 236.22 g/mol. Its IUPAC name is 2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
PubChem CID134892533
Molecular FormulaC9H16O7
Molecular Weight236.22 g/mol
Exact Mass236.09
IUPAC Name2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILESO=C(O)C1(O)CCCC([C@H](O)[C@H](O)CO)O1
InChIInChI=1S/C9H16O7/c10-4-5(11)7(12)6-2-1-3-9(15,16-6)8(13)14/h5-7,10-12,15H,1-4H2,(H,13,14)/t5-,6?,7-,9?/m1/s1
InChIKeyZUYZBMUPYXMXFR-DOBFWROPSA-N
XLogP-1.96
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 5-1.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

Daumone
CID 11471380
3-deoxy-alpha-D-manno-2-octulosonate
CID 21681234
(2S,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid
CID 10900194
3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid
CID 445569
3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid
CID 10869261
azane;(2S,4R,5R,6S)-6-[(1S)-2-fluoro-1-hydroxyethyl]-4,5-dihydroxyoxane-2-carboxylic acid
CID 56664840
azane;(2S,4R,5R,6R)-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxane-2-carboxylic acid
CID 56671714
(8R)-8-[(3,6-Dideoxy-alpha-L-arabino-hexopyranosyl)oxy]nonanoic acid
CID 86289662
(7R)-7-((3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy)octanoic acid
CID 86289672
(9R)-9-[(3,6-Dideoxy-alpha-L-arabino-hexopyranosyl)oxy]decanoic acid
CID 86289687
7-((3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy)heptanoic acid
CID 86289768
9-((3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy)nonanoic acid
CID 86289772

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
The IUPAC name of 2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CID 134892533) is 2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.
What is the SMILES notation for 2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
The canonical SMILES for 2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is O=C(O)C1(O)CCCC([C@H](O)[C@H](O)CO)O1.
What is the InChIKey of 2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
The InChIKey is ZUYZBMUPYXMXFR-DOBFWROPSA-N. The full InChI is InChI=1S/C9H16O7/c10-4-5(11)7(12)6-2-1-3-9(15,16-6)8(13)14/h5-7,10-12,15H,1-4H2,(H,13,14)/t5-,6?,7-,9?/m1/s1.
What are the key properties of 2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid has a molecular weight of 236.22 g/mol, XLogP of -1.96, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is sourced from PubChem (CID 134892533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).