[(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-[(E)-prop-1-enyl]oxan-2-yl]methyl acetate

C17H24O9 — CID 10883206

IUPAC[(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-[(E)-prop-1-enyl]oxan-2-yl]methyl acetate
SMILESC/C=C/[C@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C17H24O9/c1-6-7-13-15(23-10(3)19)17(25-12(5)21)16(24-11(4)20)14(26-13)8-22-9(2)18/h6-7,13-17H,8H2,1-5H3/b7-6+/t13-,14-,15+,16+,17-/m1/s1
InChIKeyHRYHAUJVZHFTNE-FOBRXXOMSA-N
MW372.37 g/mol
LogP0.69
Rot. Bonds6

About [(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-[(E)-prop-1-enyl]oxan-2-yl]methyl acetate

[(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-[(E)-prop-1-enyl]oxan-2-yl]methyl acetate (PubChem CID 10883206) has the molecular formula C17H24O9 and a molecular weight of 372.37 g/mol. Its IUPAC name is [(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-[(E)-prop-1-enyl]oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-[(E)-prop-1-enyl]oxan-2-yl]methyl acetate
PubChem CID10883206
Molecular FormulaC17H24O9
Molecular Weight372.37 g/mol
Exact Mass372.14
IUPAC Name[(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-[(E)-prop-1-enyl]oxan-2-yl]methyl acetate
SMILESC/C=C/[C@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C17H24O9/c1-6-7-13-15(23-10(3)19)17(25-12(5)21)16(24-11(4)20)14(26-13)8-22-9(2)18/h6-7,13-17H,8H2,1-5H3/b7-6+/t13-,14-,15+,16+,17-/m1/s1
InChIKeyHRYHAUJVZHFTNE-FOBRXXOMSA-N
XLogP0.69
TPSA114.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-[(E)-prop-1-enyl]oxan-2-yl]methyl acetate with MolForge

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Related Compounds

Boronolide
CID 10474298
[(2R,3S)-6-oxo-2-[(1S,2R,3S)-1,2,3-triacetyloxyheptyl]-2,3-dihydropyran-3-yl] acetate
CID 10387847
[(2S,3S)-2-[(1S,2S,3S)-3-acetyloxy-1,2-dihydroxyheptyl]-6-oxo-2,3-dihydropyran-3-yl] acetate
CID 44584472
3-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-1-propene
CID 11793622
methyl (E)-4-[(2R,3S)-3-acetyloxyoxan-2-yl]but-2-enoate
CID 44397639
[(2R,4R,6S)-4,6-diacetyloxy-7-[(2R)-6-oxo-2,3-dihydropyran-2-yl]heptan-2-yl] acetate
CID 162988652
[(1S,4S,5S,6S)-4,5,6-triacetyloxycyclohex-2-en-1-yl] acetate
CID 10957980
[(2R,3R,4R,5R,6R)-3,4,5-triacetyloxy-6-(2-methylprop-1-enyl)oxan-2-yl]methyl acetate
CID 102309674
5,6,7,9-Tetra-O-acetyl-4,8-anhydro-1,2,3-trideoxy-D-glycero-D-gulo-non-1-enitol
CID 11132445
(3,4,5-Triacetyloxy-6-ethenyloxan-2-yl)methyl acetate
CID 14212696
[1,2-Diacetyloxy-1-(6-oxo-2,3-dihydropyran-2-yl)heptan-3-yl] acetate
CID 13915589
[(1R,4R,5S)-4,5-diacetyloxycyclohex-2-en-1-yl] acetate
CID 10634799

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-[(E)-prop-1-enyl]oxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-[(E)-prop-1-enyl]oxan-2-yl]methyl acetate (CID 10883206) is [(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-[(E)-prop-1-enyl]oxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-[(E)-prop-1-enyl]oxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-[(E)-prop-1-enyl]oxan-2-yl]methyl acetate is C/C=C/[C@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O.
What is the InChIKey of [(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-[(E)-prop-1-enyl]oxan-2-yl]methyl acetate?
The InChIKey is HRYHAUJVZHFTNE-FOBRXXOMSA-N. The full InChI is InChI=1S/C17H24O9/c1-6-7-13-15(23-10(3)19)17(25-12(5)21)16(24-11(4)20)14(26-13)8-22-9(2)18/h6-7,13-17H,8H2,1-5H3/b7-6+/t13-,14-,15+,16+,17-/m1/s1.
What are the key properties of [(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-[(E)-prop-1-enyl]oxan-2-yl]methyl acetate?
[(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-[(E)-prop-1-enyl]oxan-2-yl]methyl acetate has a molecular weight of 372.37 g/mol, XLogP of 0.69, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-[(E)-prop-1-enyl]oxan-2-yl]methyl acetate is sourced from PubChem (CID 10883206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).