methyl 2-acetyloxy-2-(3,4-diacetyloxy-5-methoxyoxolan-2-yl)acetate

C14H20O10 — CID 6420440

IUPACmethyl 2-acetyloxy-2-(3,4-diacetyloxy-5-methoxyoxolan-2-yl)acetate
SMILESCOC(=O)C(OC(C)=O)C1OC(OC)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C14H20O10/c1-6(15)21-10-9(11(13(18)19-4)22-7(2)16)24-14(20-5)12(10)23-8(3)17/h9-12,14H,1-5H3
InChIKeyONOWHWIUYQLGOB-UHFFFAOYSA-N
MW348.30 g/mol
LogP-0.67
Rot. Bonds6

About methyl 2-acetyloxy-2-(3,4-diacetyloxy-5-methoxyoxolan-2-yl)acetate

methyl 2-acetyloxy-2-(3,4-diacetyloxy-5-methoxyoxolan-2-yl)acetate (PubChem CID 6420440) has the molecular formula C14H20O10 and a molecular weight of 348.30 g/mol. Its IUPAC name is methyl 2-acetyloxy-2-(3,4-diacetyloxy-5-methoxyoxolan-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-acetyloxy-2-(3,4-diacetyloxy-5-methoxyoxolan-2-yl)acetate
PubChem CID6420440
Molecular FormulaC14H20O10
Molecular Weight348.30 g/mol
Exact Mass348.11
IUPAC Namemethyl 2-acetyloxy-2-(3,4-diacetyloxy-5-methoxyoxolan-2-yl)acetate
SMILESCOC(=O)C(OC(C)=O)C1OC(OC)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C14H20O10/c1-6(15)21-10-9(11(13(18)19-4)22-7(2)16)24-14(20-5)12(10)23-8(3)17/h9-12,14H,1-5H3
InChIKeyONOWHWIUYQLGOB-UHFFFAOYSA-N
XLogP-0.67
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze methyl 2-acetyloxy-2-(3,4-diacetyloxy-5-methoxyoxolan-2-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

Methyl 1,2,3,4-tetra-O-acetyl-beta-D-glucopyranuronate
CID 95087
Methyl D-glucopyranuronate 1,2,3,4-tetraacetate
CID 11047049
(2R,3R,4S,5R)-2-(Acetoxymethyl)-6-oxotetrahydro-2H-pyran-3,4,5-triyl triacetate
CID 11013415
alpha-D-Galactopyranosiduronic acid, methyl methyl ester, triacetate
CID 142031
2,3:5,6-Di-O-isopropylidene-L-gulonolactone
CID 568288
alpha-D-Glucopyranuronic acid, methyl ester, tetraacetate
CID 226478
Methyl 2,3,4-tri-O-acetyl-B-D-glucuronic acid methyl ester
CID 11057163
beta-D-Glucopyranuronic acid, ethyl ester, tetraacetate
CID 90475825
methyl (2S,3S,4S,5R,6S)-3,4,5-trimethoxy-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxyoxane-2-carboxylate
CID 162888423
methyl (2S,3S,4S,5R,6S)-4,5-dimethoxy-6-[(2R,3R,4S,5S)-1,2,4,5,6-pentamethoxyhexan-3-yl]oxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxane-2-carboxylate
CID 162892440
methyl (2S,3S,4S,5R,6S)-6-[(2R,3R,4S,5R,6S)-4,5-dimethoxy-2-(methoxymethyl)-6-[(2S,3R,4S,5S)-2,4,5,6-tetramethoxyhexan-3-yl]oxyoxan-3-yl]oxy-3,4,5-trimethoxyoxane-2-carboxylate
CID 162913163
2,5-Anhydromannitol iduronate
CID 194305

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetyloxy-2-(3,4-diacetyloxy-5-methoxyoxolan-2-yl)acetate?
The IUPAC name of methyl 2-acetyloxy-2-(3,4-diacetyloxy-5-methoxyoxolan-2-yl)acetate (CID 6420440) is methyl 2-acetyloxy-2-(3,4-diacetyloxy-5-methoxyoxolan-2-yl)acetate.
What is the SMILES notation for methyl 2-acetyloxy-2-(3,4-diacetyloxy-5-methoxyoxolan-2-yl)acetate?
The canonical SMILES for methyl 2-acetyloxy-2-(3,4-diacetyloxy-5-methoxyoxolan-2-yl)acetate is COC(=O)C(OC(C)=O)C1OC(OC)C(OC(C)=O)C1OC(C)=O.
What is the InChIKey of methyl 2-acetyloxy-2-(3,4-diacetyloxy-5-methoxyoxolan-2-yl)acetate?
The InChIKey is ONOWHWIUYQLGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O10/c1-6(15)21-10-9(11(13(18)19-4)22-7(2)16)24-14(20-5)12(10)23-8(3)17/h9-12,14H,1-5H3.
What are the key properties of methyl 2-acetyloxy-2-(3,4-diacetyloxy-5-methoxyoxolan-2-yl)acetate?
methyl 2-acetyloxy-2-(3,4-diacetyloxy-5-methoxyoxolan-2-yl)acetate has a molecular weight of 348.30 g/mol, XLogP of -0.67, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetyloxy-2-(3,4-diacetyloxy-5-methoxyoxolan-2-yl)acetate is sourced from PubChem (CID 6420440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).