[(2R,3R,4R)-4,5-dihydroxy-2,3-dimethoxypentyl] acetate

C9H18O6 — CID 18642153

IUPAC[(2R,3R,4R)-4,5-dihydroxy-2,3-dimethoxypentyl] acetate
SMILESCO[C@H]([C@H](O)CO)[C@@H](COC(C)=O)OC
InChIInChI=1S/C9H18O6/c1-6(11)15-5-8(13-2)9(14-3)7(12)4-10/h7-10,12H,4-5H2,1-3H3/t7-,8-,9-/m1/s1
InChIKeyMFGWDGLUPIEQQG-IWSPIJDZSA-N
MW222.24 g/mol
LogP-1.07
Rot. Bonds7

About [(2R,3R,4R)-4,5-dihydroxy-2,3-dimethoxypentyl] acetate

[(2R,3R,4R)-4,5-dihydroxy-2,3-dimethoxypentyl] acetate (PubChem CID 18642153) has the molecular formula C9H18O6 and a molecular weight of 222.24 g/mol. Its IUPAC name is [(2R,3R,4R)-4,5-dihydroxy-2,3-dimethoxypentyl] acetate.

Molecular Properties

Compound Name[(2R,3R,4R)-4,5-dihydroxy-2,3-dimethoxypentyl] acetate
PubChem CID18642153
Molecular FormulaC9H18O6
Molecular Weight222.24 g/mol
Exact Mass222.11
IUPAC Name[(2R,3R,4R)-4,5-dihydroxy-2,3-dimethoxypentyl] acetate
SMILESCO[C@H]([C@H](O)CO)[C@@H](COC(C)=O)OC
InChIInChI=1S/C9H18O6/c1-6(11)15-5-8(13-2)9(14-3)7(12)4-10/h7-10,12H,4-5H2,1-3H3/t7-,8-,9-/m1/s1
InChIKeyMFGWDGLUPIEQQG-IWSPIJDZSA-N
XLogP-1.07
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,3R,4R,5R)-5-hydroxy-2,3,4,6-tetramethoxyhexyl] acetate
CID 14825854
(5,6-diacetyloxy-2,3,4-trimethoxyhexyl) acetate
CID 538776
[(2S,3R,4R,5R)-2,3,4-triacetyloxy-5,6-dihydroxyhexyl] acetate
CID 87557308
[(2S,3R,4R)-5-acetyloxy-3,4-bis(deuteriomethoxy)-2-hydroxypentyl] acetate
CID 175639864
[(2R,3S,4R,5S)-4,5-diacetyloxy-2,3-dimethoxyhexyl] acetate
CID 175639897
[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl] acetate
CID 54465409
[(2S,3R,4R,5R)-3-acetyloxy-2,4,5,6-tetrahydroxyhexyl] acetate
CID 102116227
(2,4-diacetyloxy-3,5-dimethoxypentyl) acetate
CID 539466
[(2S,3R,4S)-2,5-diacetyloxy-5-deuterio-3,4-dimethoxypentyl] acetate
CID 15608108
(2,3,6-triacetyloxy-6-deuterio-4,5-dimethoxyhexyl) acetate
CID 175460303
[(2S,3R,4R)-2,3,4-triacetyloxy-5-hydroxypentyl] acetate
CID 10990808
(4-acetyloxy-3-hydroxy-2-methoxyhexyl) acetate
CID 139334876

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-4,5-dihydroxy-2,3-dimethoxypentyl] acetate?
The IUPAC name of [(2R,3R,4R)-4,5-dihydroxy-2,3-dimethoxypentyl] acetate (CID 18642153) is [(2R,3R,4R)-4,5-dihydroxy-2,3-dimethoxypentyl] acetate.
What is the SMILES notation for [(2R,3R,4R)-4,5-dihydroxy-2,3-dimethoxypentyl] acetate?
The canonical SMILES for [(2R,3R,4R)-4,5-dihydroxy-2,3-dimethoxypentyl] acetate is CO[C@H]([C@H](O)CO)[C@@H](COC(C)=O)OC.
What is the InChIKey of [(2R,3R,4R)-4,5-dihydroxy-2,3-dimethoxypentyl] acetate?
The InChIKey is MFGWDGLUPIEQQG-IWSPIJDZSA-N. The full InChI is InChI=1S/C9H18O6/c1-6(11)15-5-8(13-2)9(14-3)7(12)4-10/h7-10,12H,4-5H2,1-3H3/t7-,8-,9-/m1/s1.
What are the key properties of [(2R,3R,4R)-4,5-dihydroxy-2,3-dimethoxypentyl] acetate?
[(2R,3R,4R)-4,5-dihydroxy-2,3-dimethoxypentyl] acetate has a molecular weight of 222.24 g/mol, XLogP of -1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-4,5-dihydroxy-2,3-dimethoxypentyl] acetate is sourced from PubChem (CID 18642153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).