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

C17H24O5 — CID 118885722

IUPAC[(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate
SMILESCC[C@H]1OC(O)[C@@H](OC(C)=O)[C@H](OCc2ccccc2)[C@@H]1C
InChIInChI=1S/C17H24O5/c1-4-14-11(2)15(16(17(19)22-14)21-12(3)18)20-10-13-8-6-5-7-9-13/h5-9,11,14-17,19H,4,10H2,1-3H3/t11-,14-,15-,16+,17?/m1/s1
InChIKeyGNKNTRVDTODPLX-OMJURCBISA-N
MW308.37 g/mol
LogP2.27
Rot. Bonds5

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

[(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate (PubChem CID 118885722) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is [(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate.

Molecular Properties

Compound Name[(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate
PubChem CID118885722
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Name[(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate
SMILESCC[C@H]1OC(O)[C@@H](OC(C)=O)[C@H](OCc2ccccc2)[C@@H]1C
InChIInChI=1S/C17H24O5/c1-4-14-11(2)15(16(17(19)22-14)21-12(3)18)20-10-13-8-6-5-7-9-13/h5-9,11,14-17,19H,4,10H2,1-3H3/t11-,14-,15-,16+,17?/m1/s1
InChIKeyGNKNTRVDTODPLX-OMJURCBISA-N
XLogP2.27
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate with MolForge

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Launch Full Analysis

Related Compounds

(3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol
CID 67471371
[(2R,3S,4S,5R,6R)-2-acetyloxy-6-ethyl-5-methyl-3-phenylmethoxyoxan-4-yl] acetate
CID 118885700
[(2R,4S,5S)-2-hydroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 70841959
[(4S,5S)-4-[(2S,4R,5S)-3,6-dimethyl-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-2-hydroxy-6-methyl-5-phenylmethoxyoxan-3-yl] acetate
CID 70841927
[(2R,3S,4S,5R,6R)-2-diphenoxyphosphoryloxy-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl] acetate
CID 118885704
[(3S,4R,5R,6S)-2-hydroxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-yl] acetate
CID 14505002
[(2S,3S,4S,5R,6S)-2-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 129034510
(2R,3R,5R)-5-ethyl-3-methyl-4-phenylmethoxyoxolan-2-ol
CID 121322520
5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 20743032
[(2R,3R,4R,5S)-3-acetyloxy-6-hydroxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 171137897
[(3S,4S,6S)-4,5-diacetyloxy-6-[(2R,4S,5S)-3-acetyloxy-2-hydroxy-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-2-methyloxan-3-yl] acetate
CID 91280721
[(3S,4S,5R,6R)-4-carbamoyloxy-6-ethyl-2-hydroxy-5-methyloxan-3-yl] acetate
CID 118894761

Frequently Asked Questions

What is the IUPAC name of [(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate?
The IUPAC name of [(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate (CID 118885722) is [(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate.
What is the SMILES notation for [(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate?
The canonical SMILES for [(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate is CC[C@H]1OC(O)[C@@H](OC(C)=O)[C@H](OCc2ccccc2)[C@@H]1C.
What is the InChIKey of [(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate?
The InChIKey is GNKNTRVDTODPLX-OMJURCBISA-N. The full InChI is InChI=1S/C17H24O5/c1-4-14-11(2)15(16(17(19)22-14)21-12(3)18)20-10-13-8-6-5-7-9-13/h5-9,11,14-17,19H,4,10H2,1-3H3/t11-,14-,15-,16+,17?/m1/s1.
What are the key properties of [(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate?
[(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate has a molecular weight of 308.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate is sourced from PubChem (CID 118885722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).