[(2S,3R,4S,5S)-5-acetyloxy-2-ethyl-4-methoxy-6-prop-2-enyloxan-3-yl] acetate

C15H24O6 — CID 101101985

IUPAC[(2S,3R,4S,5S)-5-acetyloxy-2-ethyl-4-methoxy-6-prop-2-enyloxan-3-yl] acetate
SMILESC=CCC1O[C@@H](CC)[C@@H](OC(C)=O)[C@H](OC)[C@H]1OC(C)=O
InChIInChI=1S/C15H24O6/c1-6-8-12-14(20-10(4)17)15(18-5)13(19-9(3)16)11(7-2)21-12/h6,11-15H,1,7-8H2,2-5H3/t11-,12?,13+,14-,15-/m0/s1
InChIKeyGXMYMYFAPWOROS-WRHJKRJHSA-N
MW300.35 g/mol
LogP1.62
Rot. Bonds6

About [(2S,3R,4S,5S)-5-acetyloxy-2-ethyl-4-methoxy-6-prop-2-enyloxan-3-yl] acetate

[(2S,3R,4S,5S)-5-acetyloxy-2-ethyl-4-methoxy-6-prop-2-enyloxan-3-yl] acetate (PubChem CID 101101985) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is [(2S,3R,4S,5S)-5-acetyloxy-2-ethyl-4-methoxy-6-prop-2-enyloxan-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3R,4S,5S)-5-acetyloxy-2-ethyl-4-methoxy-6-prop-2-enyloxan-3-yl] acetate
PubChem CID101101985
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name[(2S,3R,4S,5S)-5-acetyloxy-2-ethyl-4-methoxy-6-prop-2-enyloxan-3-yl] acetate
SMILESC=CCC1O[C@@H](CC)[C@@H](OC(C)=O)[C@H](OC)[C@H]1OC(C)=O
InChIInChI=1S/C15H24O6/c1-6-8-12-14(20-10(4)17)15(18-5)13(19-9(3)16)11(7-2)21-12/h6,11-15H,1,7-8H2,2-5H3/t11-,12?,13+,14-,15-/m0/s1
InChIKeyGXMYMYFAPWOROS-WRHJKRJHSA-N
XLogP1.62
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2S,3R,4S,5S)-5-acetyloxy-2-ethyl-4-methoxy-6-prop-2-enyloxan-3-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

[(2R,3R,4S,5S)-2-ethyl-4-hydroxy-5-prop-2-enyloxolan-3-yl] acetate
CID 101070907
(2S,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-prop-2-enyloxane-2-carboxylic acid
CID 170073091
[(2S,5R)-4-acetyloxy-5-(azidomethyl)-2-prop-2-enyloxolan-3-yl] acetate
CID 134856577
[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enyloxan-3-yl] acetate
CID 90368674
(4,5-diacetyloxy-2-ethyl-6-methoxyoxan-3-yl) acetate
CID 54172413
[(2S,3R,4R,5R,6R)-4,5-diacetyloxy-6-ethyl-2-methyloxan-3-yl] acetate
CID 90364742
[(2R,3R,5R)-5-[(2S,4R,5S)-4-chloro-5-prop-2-enyloxolan-2-yl]-2-ethyloxolan-3-yl] acetate
CID 162397376
ethyl (E)-3-[(2S,3S,4R,5R,6R)-3,5-diacetyloxy-4-methyl-6-prop-2-enyloxan-2-yl]prop-2-enoate
CID 10498319
(3R,4S,5R,6R)-5-methoxy-6-prop-2-enyloxane-2,3,4-triol
CID 162462298
[(2R,3R,4S,5R,6S)-3,5-diacetyloxy-6-methoxy-4-prop-2-enyloxan-2-yl]methyl acetate
CID 10871649
[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl] acetate
CID 14337642
[(3S,4R,6S)-3,4,5-triacetyloxy-6-but-3-enyloxan-2-yl]methyl acetate
CID 59237831

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4S,5S)-5-acetyloxy-2-ethyl-4-methoxy-6-prop-2-enyloxan-3-yl] acetate?
The IUPAC name of [(2S,3R,4S,5S)-5-acetyloxy-2-ethyl-4-methoxy-6-prop-2-enyloxan-3-yl] acetate (CID 101101985) is [(2S,3R,4S,5S)-5-acetyloxy-2-ethyl-4-methoxy-6-prop-2-enyloxan-3-yl] acetate.
What is the SMILES notation for [(2S,3R,4S,5S)-5-acetyloxy-2-ethyl-4-methoxy-6-prop-2-enyloxan-3-yl] acetate?
The canonical SMILES for [(2S,3R,4S,5S)-5-acetyloxy-2-ethyl-4-methoxy-6-prop-2-enyloxan-3-yl] acetate is C=CCC1O[C@@H](CC)[C@@H](OC(C)=O)[C@H](OC)[C@H]1OC(C)=O.
What is the InChIKey of [(2S,3R,4S,5S)-5-acetyloxy-2-ethyl-4-methoxy-6-prop-2-enyloxan-3-yl] acetate?
The InChIKey is GXMYMYFAPWOROS-WRHJKRJHSA-N. The full InChI is InChI=1S/C15H24O6/c1-6-8-12-14(20-10(4)17)15(18-5)13(19-9(3)16)11(7-2)21-12/h6,11-15H,1,7-8H2,2-5H3/t11-,12?,13+,14-,15-/m0/s1.
What are the key properties of [(2S,3R,4S,5S)-5-acetyloxy-2-ethyl-4-methoxy-6-prop-2-enyloxan-3-yl] acetate?
[(2S,3R,4S,5S)-5-acetyloxy-2-ethyl-4-methoxy-6-prop-2-enyloxan-3-yl] acetate has a molecular weight of 300.35 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4S,5S)-5-acetyloxy-2-ethyl-4-methoxy-6-prop-2-enyloxan-3-yl] acetate is sourced from PubChem (CID 101101985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).