[(2R,3R,4R,5S)-4,5-diacetyloxy-2-(2-oxopropyl)oxolan-3-yl] acetate

C13H18O8 — CID 135052296

IUPAC[(2R,3R,4R,5S)-4,5-diacetyloxy-2-(2-oxopropyl)oxolan-3-yl] acetate
SMILESCC(=O)C[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C13H18O8/c1-6(14)5-10-11(18-7(2)15)12(19-8(3)16)13(21-10)20-9(4)17/h10-13H,5H2,1-4H3/t10-,11-,12-,13-/m1/s1
InChIKeyRFZAMSWOPYFMSU-FDYHWXHSSA-N
MW302.28 g/mol
LogP0.12
Rot. Bonds5

About [(2R,3R,4R,5S)-4,5-diacetyloxy-2-(2-oxopropyl)oxolan-3-yl] acetate

[(2R,3R,4R,5S)-4,5-diacetyloxy-2-(2-oxopropyl)oxolan-3-yl] acetate (PubChem CID 135052296) has the molecular formula C13H18O8 and a molecular weight of 302.28 g/mol. Its IUPAC name is [(2R,3R,4R,5S)-4,5-diacetyloxy-2-(2-oxopropyl)oxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4R,5S)-4,5-diacetyloxy-2-(2-oxopropyl)oxolan-3-yl] acetate
PubChem CID135052296
Molecular FormulaC13H18O8
Molecular Weight302.28 g/mol
Exact Mass302.10
IUPAC Name[(2R,3R,4R,5S)-4,5-diacetyloxy-2-(2-oxopropyl)oxolan-3-yl] acetate
SMILESCC(=O)C[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C13H18O8/c1-6(14)5-10-11(18-7(2)15)12(19-8(3)16)13(21-10)20-9(4)17/h10-13H,5H2,1-4H3/t10-,11-,12-,13-/m1/s1
InChIKeyRFZAMSWOPYFMSU-FDYHWXHSSA-N
XLogP0.12
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(2R,3R,4R,5S)-4,5-diacetyloxy-2-(2-oxopropyl)oxolan-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

Diethyl (4s,5s)-1,3-dioxolane-4,5-diacetate
CID 129740860
Methyl(methyl-2,3,4-tri-O-acetylbetad-galactofuranosid)uronate
CID 6420440
methyl 2-[(2R,3R,4R,5S)-3,4,5-triacetyloxyoxolan-2-yl]acetate
CID 14979379
4,4-Diethoxy-5,5,7,7-tetramethoxyheptan-2-one
CID 57018325
[(3R,4S,5R)-2-acetyloxy-4-methoxy-5-(3-oxobutyl)oxolan-3-yl] acetate
CID 58503389
[(3R,4S,5R)-2-acetyloxy-4-butoxy-5-(3-oxobutyl)oxolan-3-yl] acetate
CID 58503402
[(3R,4S,5R)-2-acetyloxy-4-octoxy-5-(3-oxobutyl)oxolan-3-yl] acetate
CID 58503408
(4R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxypentan-2-one
CID 59821308
(2-Ethoxy-5-methoxycarbonylmethyl-[1,3]dioxolan-4-yl)-acetic acid methyl ester
CID 69493699
methyl 2-[(2R,3S)-3-acetyloxy-5-methoxyoxolan-2-yl]acetate
CID 123286313
ethyl 3-[(2R,3R,4R,5S)-3,4,5-triacetyloxyoxolan-2-yl]propanoate
CID 139805859
(4S)-4-methoxy-5-(2,4,5-trimethyl-1,3-dioxolan-2-yl)pentan-2-one
CID 146994998

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5S)-4,5-diacetyloxy-2-(2-oxopropyl)oxolan-3-yl] acetate?
The IUPAC name of [(2R,3R,4R,5S)-4,5-diacetyloxy-2-(2-oxopropyl)oxolan-3-yl] acetate (CID 135052296) is [(2R,3R,4R,5S)-4,5-diacetyloxy-2-(2-oxopropyl)oxolan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,4R,5S)-4,5-diacetyloxy-2-(2-oxopropyl)oxolan-3-yl] acetate?
The canonical SMILES for [(2R,3R,4R,5S)-4,5-diacetyloxy-2-(2-oxopropyl)oxolan-3-yl] acetate is CC(=O)C[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4R,5S)-4,5-diacetyloxy-2-(2-oxopropyl)oxolan-3-yl] acetate?
The InChIKey is RFZAMSWOPYFMSU-FDYHWXHSSA-N. The full InChI is InChI=1S/C13H18O8/c1-6(14)5-10-11(18-7(2)15)12(19-8(3)16)13(21-10)20-9(4)17/h10-13H,5H2,1-4H3/t10-,11-,12-,13-/m1/s1.
What are the key properties of [(2R,3R,4R,5S)-4,5-diacetyloxy-2-(2-oxopropyl)oxolan-3-yl] acetate?
[(2R,3R,4R,5S)-4,5-diacetyloxy-2-(2-oxopropyl)oxolan-3-yl] acetate has a molecular weight of 302.28 g/mol, XLogP of 0.12, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5S)-4,5-diacetyloxy-2-(2-oxopropyl)oxolan-3-yl] acetate is sourced from PubChem (CID 135052296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).