[(2R,3S,4R,5S)-3-acetyloxy-1,4,5,6-tetrahydroxyhexan-2-yl] acetate

C10H18O8 — CID 102116238

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

About [(2R,3S,4R,5S)-3-acetyloxy-1,4,5,6-tetrahydroxyhexan-2-yl] acetate

[(2R,3S,4R,5S)-3-acetyloxy-1,4,5,6-tetrahydroxyhexan-2-yl] acetate (PubChem CID 102116238) has the molecular formula C10H18O8 and a molecular weight of 266.25 g/mol. Its IUPAC name is [(2R,3S,4R,5S)-3-acetyloxy-1,4,5,6-tetrahydroxyhexan-2-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,4R,5S)-3-acetyloxy-1,4,5,6-tetrahydroxyhexan-2-yl] acetate
PubChem CID102116238
Molecular FormulaC10H18O8
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name[(2R,3S,4R,5S)-3-acetyloxy-1,4,5,6-tetrahydroxyhexan-2-yl] acetate
SMILESCC(=O)O[C@@H]([C@H](O)[C@@H](O)CO)[C@@H](CO)OC(C)=O
InChIInChI=1S/C10H18O8/c1-5(13)17-8(4-12)10(18-6(2)14)9(16)7(15)3-11/h7-12,15-16H,3-4H2,1-2H3/t7-,8+,9+,10+/m0/s1
InChIKeyOZLHCGZIVOMBFN-SGIHWFKDSA-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

Analyze [(2R,3S,4R,5S)-3-acetyloxy-1,4,5,6-tetrahydroxyhexan-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,3R,4R,5R)-3-acetyloxy-2,4,5,6-tetrahydroxyhexyl] acetate
CID 102116227
(3,4,5-triacetyloxy-6-hydroxyhexan-2-yl) acetate
CID 89196523
[(2S,3R,4R)-2,3,4-triacetyloxy-5-hydroxypentyl] acetate
CID 10990808
[(2S,3R,4R,5R)-2,3,4-triacetyloxy-5,6-dihydroxyhexyl] acetate
CID 87557308
(4,5-diacetyloxy-1-amino-6-hydroxyhexan-3-yl) acetate
CID 123368932
[(2R,3S,4R,5R)-3-acetyloxy-4,5,6-trihydroxy-1-oxohexan-2-yl] propanoate
CID 87698863
(1-hydroxy-3-methylbutan-2-yl) acetate
CID 154094569
(2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoic acid
CID 25051954
[(2R,3S,4R,5R)-3-acetyloxy-4,5,6-trihydroxy-1-oxohexan-2-yl] butanoate
CID 87698385
[(3R,4S,5R)-3,4,5-triacetyloxy-6-hydroxy-2-oxohexyl] acetate
CID 87557307
(3,4,5,6-tetrahydroxy-1-oxohexan-2-yl) acetate
CID 19078074
[(2R,3S,4R,5S)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl] acetate
CID 118543059

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5S)-3-acetyloxy-1,4,5,6-tetrahydroxyhexan-2-yl] acetate?
The IUPAC name of [(2R,3S,4R,5S)-3-acetyloxy-1,4,5,6-tetrahydroxyhexan-2-yl] acetate (CID 102116238) is [(2R,3S,4R,5S)-3-acetyloxy-1,4,5,6-tetrahydroxyhexan-2-yl] acetate.
What is the SMILES notation for [(2R,3S,4R,5S)-3-acetyloxy-1,4,5,6-tetrahydroxyhexan-2-yl] acetate?
The canonical SMILES for [(2R,3S,4R,5S)-3-acetyloxy-1,4,5,6-tetrahydroxyhexan-2-yl] acetate is CC(=O)O[C@@H]([C@H](O)[C@@H](O)CO)[C@@H](CO)OC(C)=O.
What is the InChIKey of [(2R,3S,4R,5S)-3-acetyloxy-1,4,5,6-tetrahydroxyhexan-2-yl] acetate?
The InChIKey is OZLHCGZIVOMBFN-SGIHWFKDSA-N. The full InChI is InChI=1S/C10H18O8/c1-5(13)17-8(4-12)10(18-6(2)14)9(16)7(15)3-11/h7-12,15-16H,3-4H2,1-2H3/t7-,8+,9+,10+/m0/s1.
What are the key properties of [(2R,3S,4R,5S)-3-acetyloxy-1,4,5,6-tetrahydroxyhexan-2-yl] acetate?
[(2R,3S,4R,5S)-3-acetyloxy-1,4,5,6-tetrahydroxyhexan-2-yl] 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,4R,5S)-3-acetyloxy-1,4,5,6-tetrahydroxyhexan-2-yl] acetate is sourced from PubChem (CID 102116238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).