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

C10H18O8 — CID 102116227

IUPAC[(2S,3R,4R,5R)-3-acetyloxy-2,4,5,6-tetrahydroxyhexyl] acetate
SMILESCC(=O)OC[C@H](O)[C@@H](OC(C)=O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H18O8/c1-5(12)17-4-8(15)10(18-6(2)13)9(16)7(14)3-11/h7-11,14-16H,3-4H2,1-2H3/t7-,8+,9-,10-/m1/s1
InChIKeyORBOGBBBPXHETR-UTINFBMNSA-N
MW266.25 g/mol
LogP-2.44
Rot. Bonds7

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

[(2S,3R,4R,5R)-3-acetyloxy-2,4,5,6-tetrahydroxyhexyl] acetate (PubChem CID 102116227) has the molecular formula C10H18O8 and a molecular weight of 266.25 g/mol. Its IUPAC name is [(2S,3R,4R,5R)-3-acetyloxy-2,4,5,6-tetrahydroxyhexyl] acetate.

Molecular Properties

Compound Name[(2S,3R,4R,5R)-3-acetyloxy-2,4,5,6-tetrahydroxyhexyl] acetate
PubChem CID102116227
Molecular FormulaC10H18O8
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name[(2S,3R,4R,5R)-3-acetyloxy-2,4,5,6-tetrahydroxyhexyl] acetate
SMILESCC(=O)OC[C@H](O)[C@@H](OC(C)=O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H18O8/c1-5(12)17-4-8(15)10(18-6(2)13)9(16)7(14)3-11/h7-11,14-16H,3-4H2,1-2H3/t7-,8+,9-,10-/m1/s1
InChIKeyORBOGBBBPXHETR-UTINFBMNSA-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-acetyloxy-3-hydroxypropyl) acetate;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
CID 87468403
[(2R,3S,4R,5S)-3-acetyloxy-1,4,5,6-tetrahydroxyhexan-2-yl] acetate
CID 102116238
[(2S,3R,4R,5R)-2,3,4-triacetyloxy-5,6-dihydroxyhexyl] acetate
CID 87557308
(3,4,5,6-tetraacetyloxy-2-hydroxyhexyl) acetate
CID 123857051
[2,3,4,5-tetrahydroxy-6-(2,3,4,5,6-pentahydroxyhexoxymethoxy)hexyl] acetate
CID 123514197
[(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate
CID 102116245
[(2R,3S,4R)-3-acetyloxy-2,4-dihydroxy-6-oxohexyl] acetate
CID 86654838
methyl (2R,3R)-2,3,5-triacetyloxy-4-hydroxypentanoate
CID 59899532
[(2S,3R,4R)-2,3,4-triacetyloxy-5-hydroxypentyl] acetate
CID 10990808
propan-1-ol;[(2R,3R,4S,5R)-3,4,5-triacetyloxy-2-hydroxy-6-oxohexyl] acetate
CID 87759927
[(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 [(2S,3R,4R,5R)-3-acetyloxy-2,4,5,6-tetrahydroxyhexyl] acetate?
The IUPAC name of [(2S,3R,4R,5R)-3-acetyloxy-2,4,5,6-tetrahydroxyhexyl] acetate (CID 102116227) is [(2S,3R,4R,5R)-3-acetyloxy-2,4,5,6-tetrahydroxyhexyl] acetate.
What is the SMILES notation for [(2S,3R,4R,5R)-3-acetyloxy-2,4,5,6-tetrahydroxyhexyl] acetate?
The canonical SMILES for [(2S,3R,4R,5R)-3-acetyloxy-2,4,5,6-tetrahydroxyhexyl] acetate is CC(=O)OC[C@H](O)[C@@H](OC(C)=O)[C@H](O)[C@H](O)CO.
What is the InChIKey of [(2S,3R,4R,5R)-3-acetyloxy-2,4,5,6-tetrahydroxyhexyl] acetate?
The InChIKey is ORBOGBBBPXHETR-UTINFBMNSA-N. The full InChI is InChI=1S/C10H18O8/c1-5(12)17-4-8(15)10(18-6(2)13)9(16)7(14)3-11/h7-11,14-16H,3-4H2,1-2H3/t7-,8+,9-,10-/m1/s1.
What are the key properties of [(2S,3R,4R,5R)-3-acetyloxy-2,4,5,6-tetrahydroxyhexyl] acetate?
[(2S,3R,4R,5R)-3-acetyloxy-2,4,5,6-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 [(2S,3R,4R,5R)-3-acetyloxy-2,4,5,6-tetrahydroxyhexyl] acetate is sourced from PubChem (CID 102116227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).