[(2S,3R,4R,5R)-5-hydroxy-2,3,4,6-tetramethoxyhexyl] acetate

C12H24O7 — CID 14825854

IUPAC[(2S,3R,4R,5R)-5-hydroxy-2,3,4,6-tetramethoxyhexyl] acetate
SMILESCOC[C@@H](O)[C@@H](OC)[C@H](OC)[C@H](COC(C)=O)OC
InChIInChI=1S/C12H24O7/c1-8(13)19-7-10(16-3)12(18-5)11(17-4)9(14)6-15-2/h9-12,14H,6-7H2,1-5H3/t9-,10+,11-,12-/m1/s1
InChIKeyHBRITIZRFPIDOI-WRWGMCAJSA-N
MW280.32 g/mol
LogP-0.40
Rot. Bonds10

About [(2S,3R,4R,5R)-5-hydroxy-2,3,4,6-tetramethoxyhexyl] acetate

[(2S,3R,4R,5R)-5-hydroxy-2,3,4,6-tetramethoxyhexyl] acetate (PubChem CID 14825854) has the molecular formula C12H24O7 and a molecular weight of 280.32 g/mol. Its IUPAC name is [(2S,3R,4R,5R)-5-hydroxy-2,3,4,6-tetramethoxyhexyl] acetate.

Molecular Properties

Compound Name[(2S,3R,4R,5R)-5-hydroxy-2,3,4,6-tetramethoxyhexyl] acetate
PubChem CID14825854
Molecular FormulaC12H24O7
Molecular Weight280.32 g/mol
Exact Mass280.15
IUPAC Name[(2S,3R,4R,5R)-5-hydroxy-2,3,4,6-tetramethoxyhexyl] acetate
SMILESCOC[C@@H](O)[C@@H](OC)[C@H](OC)[C@H](COC(C)=O)OC
InChIInChI=1S/C12H24O7/c1-8(13)19-7-10(16-3)12(18-5)11(17-4)9(14)6-15-2/h9-12,14H,6-7H2,1-5H3/t9-,10+,11-,12-/m1/s1
InChIKeyHBRITIZRFPIDOI-WRWGMCAJSA-N
XLogP-0.40
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R,3R,4R)-4,5-dihydroxy-2,3-dimethoxypentyl] acetate
CID 18642153
(5,6-diacetyloxy-2,3,4-trimethoxyhexyl) acetate
CID 538776
(2,4-diacetyloxy-3,5-dimethoxypentyl) acetate
CID 539466
[(2R,3S,4R,5S)-4,5-diacetyloxy-2,3-dimethoxyhexyl] acetate
CID 175639897
[(2S,3R,4R)-5-acetyloxy-3,4-bis(deuteriomethoxy)-2-hydroxypentyl] acetate
CID 175639864
[(2R,3R,4R,5S)-2,3,4,5-tetraacetyloxy-6-methoxyhexyl] acetate
CID 91751656
(2,3,6-triacetyloxy-6-deuterio-4,5-dimethoxyhexyl) acetate
CID 175460303
[(2R,3R,4S,5S)-5-acetyloxy-1-deuterio-2,3,4,6-tetramethoxyhexyl] acetate
CID 24745070
(3,4,5,6-tetraacetyloxy-2-hydroxyhexyl) acetate
CID 123857051
2,5-dihydroxy-3,4,6-trimethoxyhexanal
CID 18533991
[(2S,3R,4S)-2,5-diacetyloxy-5-deuterio-3,4-dimethoxypentyl] acetate
CID 15608108
(4-acetyloxy-3-hydroxy-2-methoxyhexyl) acetate
CID 139334876

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5R)-5-hydroxy-2,3,4,6-tetramethoxyhexyl] acetate?
The IUPAC name of [(2S,3R,4R,5R)-5-hydroxy-2,3,4,6-tetramethoxyhexyl] acetate (CID 14825854) is [(2S,3R,4R,5R)-5-hydroxy-2,3,4,6-tetramethoxyhexyl] acetate.
What is the SMILES notation for [(2S,3R,4R,5R)-5-hydroxy-2,3,4,6-tetramethoxyhexyl] acetate?
The canonical SMILES for [(2S,3R,4R,5R)-5-hydroxy-2,3,4,6-tetramethoxyhexyl] acetate is COC[C@@H](O)[C@@H](OC)[C@H](OC)[C@H](COC(C)=O)OC.
What is the InChIKey of [(2S,3R,4R,5R)-5-hydroxy-2,3,4,6-tetramethoxyhexyl] acetate?
The InChIKey is HBRITIZRFPIDOI-WRWGMCAJSA-N. The full InChI is InChI=1S/C12H24O7/c1-8(13)19-7-10(16-3)12(18-5)11(17-4)9(14)6-15-2/h9-12,14H,6-7H2,1-5H3/t9-,10+,11-,12-/m1/s1.
What are the key properties of [(2S,3R,4R,5R)-5-hydroxy-2,3,4,6-tetramethoxyhexyl] acetate?
[(2S,3R,4R,5R)-5-hydroxy-2,3,4,6-tetramethoxyhexyl] acetate has a molecular weight of 280.32 g/mol, XLogP of -0.40, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,5R)-5-hydroxy-2,3,4,6-tetramethoxyhexyl] acetate is sourced from PubChem (CID 14825854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).