2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl 2-methylprop-2-enoate

C20H28O12 — CID 11248165

IUPAC2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCO[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/C20H28O12/c1-10(2)19(25)26-7-8-27-20-18(31-14(6)24)17(30-13(5)23)16(29-12(4)22)15(32-20)9-28-11(3)21/h15-18,20H,1,7-9H2,2-6H3/t15-,16-,17+,18-,20-/m1/s1
InChIKeyUKXDUWYOZALDNG-BFMVXSJESA-N
MW460.43 g/mol
LogP0.21
Rot. Bonds10

About 2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl 2-methylprop-2-enoate

2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl 2-methylprop-2-enoate (PubChem CID 11248165) has the molecular formula C20H28O12 and a molecular weight of 460.43 g/mol. Its IUPAC name is 2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl 2-methylprop-2-enoate
PubChem CID11248165
Molecular FormulaC20H28O12
Molecular Weight460.43 g/mol
Exact Mass460.16
IUPAC Name2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCO[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/C20H28O12/c1-10(2)19(25)26-7-8-27-20-18(31-14(6)24)17(30-13(5)23)16(29-12(4)22)15(32-20)9-28-11(3)21/h15-18,20H,1,7-9H2,2-6H3/t15-,16-,17+,18-,20-/m1/s1
InChIKeyUKXDUWYOZALDNG-BFMVXSJESA-N
XLogP0.21
TPSA149.96 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.43
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl 2-methylprop-2-enoate 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

Acetic acid, 3,5-diacetoxy-2-acetoxymethyl-6-allyloxytetrahydropyran-4-yl ester
CID 539900
2-Methacryloxyethyl D-glucopyranoside
CID 3083177
Allyl 2,3,4,6-tetra-O-acetyl-a-D-mannopyranoside
CID 11811156
(2-O-methacryloyl)2-hydroxyethyl 2,3,4,6-tetra-O-acetyl beta-D-galactopyranoside
CID 3247065
2-(beta-d-Galactosyloxy)ethyl methacrylate
CID 3247067
(2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-(allyloxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
CID 7077020
Allyl 2,3,4,6-tetra-O-acetyl-beta-D-galactopyranoside
CID 7091156
2-ethylmethacrylate-D-glucopyranoside
CID 11000819
[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl 2-methylprop-2-enoate
CID 11395760
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-prop-2-enoxyoxan-2-yl]methyl acetate
CID 14630318
[(1S,2R,6R,8R,9S)-4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl 2-methylprop-2-enoate
CID 18646445
2-(Oxan-2-yloxy)ethyl 2-methylprop-2-enoate
CID 19738332

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl 2-methylprop-2-enoate (CID 11248165) is 2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCO[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 2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl 2-methylprop-2-enoate?
The InChIKey is UKXDUWYOZALDNG-BFMVXSJESA-N. The full InChI is InChI=1S/C20H28O12/c1-10(2)19(25)26-7-8-27-20-18(31-14(6)24)17(30-13(5)23)16(29-12(4)22)15(32-20)9-28-11(3)21/h15-18,20H,1,7-9H2,2-6H3/t15-,16-,17+,18-,20-/m1/s1.
What are the key properties of 2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl 2-methylprop-2-enoate?
2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl 2-methylprop-2-enoate has a molecular weight of 460.43 g/mol, XLogP of 0.21, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 11248165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).