[(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate

C10H18O8 — CID 102116245

IUPAC[(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate
SMILESCC(=O)OC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)COC(C)=O
InChIInChI=1S/C10H18O8/c1-5(11)17-3-7(13)9(15)10(16)8(14)4-18-6(2)12/h7-10,13-16H,3-4H2,1-2H3/t7-,8+,9-,10-/m0/s1
InChIKeyHWKVERSUMNHFDR-JXUBOQSCSA-N
MW266.25 g/mol
LogP-2.44
Rot. Bonds7

About [(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate

[(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate (PubChem CID 102116245) has the molecular formula C10H18O8 and a molecular weight of 266.25 g/mol. Its IUPAC name is [(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate.

Molecular Properties

Compound Name[(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate
PubChem CID102116245
Molecular FormulaC10H18O8
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name[(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate
SMILESCC(=O)OC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)COC(C)=O
InChIInChI=1S/C10H18O8/c1-5(11)17-3-7(13)9(15)10(16)8(14)4-18-6(2)12/h7-10,13-16H,3-4H2,1-2H3/t7-,8+,9-,10-/m0/s1
InChIKeyHWKVERSUMNHFDR-JXUBOQSCSA-N
XLogP-2.44
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-2.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl] acetate
CID 54465409
[2,3,4,5-tetrahydroxy-6-(2,3,4,5,6-pentahydroxyhexoxymethoxy)hexyl] acetate
CID 123514197
[(2R,3S,4R)-2,3,4-trihydroxy-6-oxohexyl] acetate
CID 54029245
[(2S,3R,4R,5R)-3-acetyloxy-2,4,5,6-tetrahydroxyhexyl] acetate
CID 102116227
2-methylpropanoic acid;[(2R,3R,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl] acetate
CID 118326456
(2-acetyloxy-3-hydroxypropyl) acetate;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
CID 87468403
2-hydroxypropyl acetate;mercury
CID 174858394
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] acetate
CID 88706465
(3-fluoro-2-hydroxypropyl) acetate
CID 130125053
ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723
(3,4,5,6-tetraacetyloxy-2-hydroxyhexyl) acetate
CID 123857051

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate?
The IUPAC name of [(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate (CID 102116245) is [(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate.
What is the SMILES notation for [(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate?
The canonical SMILES for [(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate is CC(=O)OC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)COC(C)=O.
What is the InChIKey of [(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate?
The InChIKey is HWKVERSUMNHFDR-JXUBOQSCSA-N. The full InChI is InChI=1S/C10H18O8/c1-5(11)17-3-7(13)9(15)10(16)8(14)4-18-6(2)12/h7-10,13-16H,3-4H2,1-2H3/t7-,8+,9-,10-/m0/s1.
What are the key properties of [(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate?
[(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate has a molecular weight of 266.25 g/mol, XLogP of -2.44, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate is sourced from PubChem (CID 102116245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).