(2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoic acid

C8H14O8 — CID 25051954

IUPAC(2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoic acid
SMILESCC(=O)O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H14O8/c1-3(10)16-7(8(14)15)6(13)5(12)4(11)2-9/h4-7,9,11-13H,2H2,1H3,(H,14,15)/t4-,5-,6+,7-/m1/s1
InChIKeyVHLXFMJZYHZQKU-MVIOUDGNSA-N
MW238.19 g/mol
LogP-2.92
Rot. Bonds6

About (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoic acid

(2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoic acid (PubChem CID 25051954) has the molecular formula C8H14O8 and a molecular weight of 238.19 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoic acid.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoic acid
PubChem CID25051954
Molecular FormulaC8H14O8
Molecular Weight238.19 g/mol
Exact Mass238.07
IUPAC Name(2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoic acid
SMILESCC(=O)O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H14O8/c1-3(10)16-7(8(14)15)6(13)5(12)4(11)2-9/h4-7,9,11-13H,2H2,1H3,(H,14,15)/t4-,5-,6+,7-/m1/s1
InChIKeyVHLXFMJZYHZQKU-MVIOUDGNSA-N
XLogP-2.92
TPSA144.52 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 5-2.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoate
CID 118665846
(2R,3S,4S,5R)-3,4,5,6-tetrahydroxy-2-(2-oxobutanoyloxy)hexanoic acid
CID 87562113
(2R,3S,4S,5R)-2-(2-aminobutanoyloxy)-3,4,5,6-tetrahydroxyhexanoic acid
CID 87662117
acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 155668282
(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl) acetate
CID 19078074
2-(1-aminoethoxy)-3,4,5,6-tetrahydroxyhexanoic acid
CID 87421563
(2R,3R)-2,3-diacetyloxybutanedioic acid
CID 2060943
(2R,3R,4R)-3,4,5-trihydroxy-2-[(2S,3R)-2,3,4-trihydroxybutanoyl]oxypentanoic acid
CID 90765048
[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-(octylamino)-1-oxohexan-2-yl] acetate
CID 100936346
(2R,3S,4R,5R)-2-(5-carboxy-3-oxopentanoyl)oxy-3,4,5,6-tetrahydroxyhexanoic acid
CID 91192221
2,3,4,5,6-pentahydroxyhexanoic acid;bis(propan-2-one)
CID 174325080
[(2S,3S)-3-methyl-1-[(2S,3S)-3-methyl-1-[(2S,3R)-3-methyl-1-oxo-1-[(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] (2S,3S)-2-acetyloxy-3-methylpentanoate
CID 124870815

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoic acid?
The IUPAC name of (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoic acid (CID 25051954) is (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoic acid.
What is the SMILES notation for (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoic acid?
The canonical SMILES for (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoic acid is CC(=O)O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoic acid?
The InChIKey is VHLXFMJZYHZQKU-MVIOUDGNSA-N. The full InChI is InChI=1S/C8H14O8/c1-3(10)16-7(8(14)15)6(13)5(12)4(11)2-9/h4-7,9,11-13H,2H2,1H3,(H,14,15)/t4-,5-,6+,7-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoic acid?
(2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoic acid has a molecular weight of 238.19 g/mol, XLogP of -2.92, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoic acid is sourced from PubChem (CID 25051954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).