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

C10H18O4 — CID 167580238

IUPAC[(2S,4S,5R)-5-hydroxy-2,4,6-trimethyloxan-3-yl] acetate
SMILESCC(=O)OC1[C@H](C)OC(C)[C@H](O)[C@@H]1C
InChIInChI=1S/C10H18O4/c1-5-9(12)6(2)13-7(3)10(5)14-8(4)11/h5-7,9-10,12H,1-4H3/t5-,6?,7-,9+,10?/m0/s1
InChIKeyUDDMAYFFXOEFEL-HRYGINQBSA-N
MW202.25 g/mol
LogP0.72
Rot. Bonds1

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

[(2S,4S,5R)-5-hydroxy-2,4,6-trimethyloxan-3-yl] acetate (PubChem CID 167580238) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is [(2S,4S,5R)-5-hydroxy-2,4,6-trimethyloxan-3-yl] acetate.

Molecular Properties

Compound Name[(2S,4S,5R)-5-hydroxy-2,4,6-trimethyloxan-3-yl] acetate
PubChem CID167580238
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name[(2S,4S,5R)-5-hydroxy-2,4,6-trimethyloxan-3-yl] acetate
SMILESCC(=O)OC1[C@H](C)OC(C)[C@H](O)[C@@H]1C
InChIInChI=1S/C10H18O4/c1-5-9(12)6(2)13-7(3)10(5)14-8(4)11/h5-7,9-10,12H,1-4H3/t5-,6?,7-,9+,10?/m0/s1
InChIKeyUDDMAYFFXOEFEL-HRYGINQBSA-N
XLogP0.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,3S,4S,5S)-4-acetyloxy-5-hydroxy-2,6-dimethyloxan-3-yl] acetate
CID 167555032
[(2S,3S,4S,5R)-4-acetyloxy-5,6-dihydroxy-2-methyloxan-3-yl] acetate
CID 141213702
[(3S,4S,6S)-4,5-diacetyloxy-6-hydroxy-2-methyloxan-3-yl] acetate
CID 91104690
[(2S,3S,4S,5R,6R)-4,5-diacetyloxy-6-hydroxy-2-methyloxan-3-yl] acetate
CID 71486314
[(2S,3S,4R,5R)-4,5-diacetyloxy-6-hydroxy-2-methyloxan-3-yl] acetate
CID 10979133
[(3S,6R)-4,5-diacetyloxy-6-hydroxy-2-methyloxan-3-yl] acetate
CID 129095023
[(3S,4S)-4,5-diacetyloxy-6-hydroxy-2-methyloxan-3-yl] acetate
CID 71121686
[(2S,5S)-3-acetyloxy-2-bromo-5-hydroxy-6-methyloxan-4-yl] acetate
CID 174063969
(2,3,4,5,6-pentahydroxycyclohexyl) acetate
CID 19814832
[(2R,3R,4R,5R,6S)-2,5-dihydroxy-4-methoxy-6-methyloxan-3-yl] acetate
CID 91857368
[(3S,4R,5S,6S)-4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl] acetate
CID 21307891
[(2S,3S,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-methoxy-2-methyloxan-3-yl] acetate
CID 15043215

Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5R)-5-hydroxy-2,4,6-trimethyloxan-3-yl] acetate?
The IUPAC name of [(2S,4S,5R)-5-hydroxy-2,4,6-trimethyloxan-3-yl] acetate (CID 167580238) is [(2S,4S,5R)-5-hydroxy-2,4,6-trimethyloxan-3-yl] acetate.
What is the SMILES notation for [(2S,4S,5R)-5-hydroxy-2,4,6-trimethyloxan-3-yl] acetate?
The canonical SMILES for [(2S,4S,5R)-5-hydroxy-2,4,6-trimethyloxan-3-yl] acetate is CC(=O)OC1[C@H](C)OC(C)[C@H](O)[C@@H]1C.
What is the InChIKey of [(2S,4S,5R)-5-hydroxy-2,4,6-trimethyloxan-3-yl] acetate?
The InChIKey is UDDMAYFFXOEFEL-HRYGINQBSA-N. The full InChI is InChI=1S/C10H18O4/c1-5-9(12)6(2)13-7(3)10(5)14-8(4)11/h5-7,9-10,12H,1-4H3/t5-,6?,7-,9+,10?/m0/s1.
What are the key properties of [(2S,4S,5R)-5-hydroxy-2,4,6-trimethyloxan-3-yl] acetate?
[(2S,4S,5R)-5-hydroxy-2,4,6-trimethyloxan-3-yl] acetate has a molecular weight of 202.25 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5R)-5-hydroxy-2,4,6-trimethyloxan-3-yl] acetate is sourced from PubChem (CID 167580238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).