[(2R,3S)-2,3-diacetyloxy-3-[(2R)-5-oxooxolan-2-yl]propyl] acetate

C13H18O8 — CID 14133450

IUPAC[(2R,3S)-2,3-diacetyloxy-3-[(2R)-5-oxooxolan-2-yl]propyl] acetate
SMILESCC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1CCC(=O)O1
InChIInChI=1S/C13H18O8/c1-7(14)18-6-11(19-8(2)15)13(20-9(3)16)10-4-5-12(17)21-10/h10-11,13H,4-6H2,1-3H3/t10-,11-,13+/m1/s1
InChIKeyNRFXSLPSTKBSDT-WZRBSPASSA-N
MW302.28 g/mol
LogP0.12
Rot. Bonds6

About [(2R,3S)-2,3-diacetyloxy-3-[(2R)-5-oxooxolan-2-yl]propyl] acetate

[(2R,3S)-2,3-diacetyloxy-3-[(2R)-5-oxooxolan-2-yl]propyl] acetate (PubChem CID 14133450) has the molecular formula C13H18O8 and a molecular weight of 302.28 g/mol. Its IUPAC name is [(2R,3S)-2,3-diacetyloxy-3-[(2R)-5-oxooxolan-2-yl]propyl] acetate.

Molecular Properties

Compound Name[(2R,3S)-2,3-diacetyloxy-3-[(2R)-5-oxooxolan-2-yl]propyl] acetate
PubChem CID14133450
Molecular FormulaC13H18O8
Molecular Weight302.28 g/mol
Exact Mass302.10
IUPAC Name[(2R,3S)-2,3-diacetyloxy-3-[(2R)-5-oxooxolan-2-yl]propyl] acetate
SMILESCC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1CCC(=O)O1
InChIInChI=1S/C13H18O8/c1-7(14)18-6-11(19-8(2)15)13(20-9(3)16)10-4-5-12(17)21-10/h10-11,13H,4-6H2,1-3H3/t10-,11-,13+/m1/s1
InChIKeyNRFXSLPSTKBSDT-WZRBSPASSA-N
XLogP0.12
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
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,3S)-2,3-diacetyloxy-3-[(2R)-5-oxooxolan-2-yl]propyl] acetate with MolForge

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Related Compounds

Tween 60
CID 24832100
(5R)-5-[(2R)-5-oxooxolan-2-yl]oxolan-2-one
CID 11062821
methyl 3-[(2R,3S,4R,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]propanoate
CID 11761554
Methyl 5-(3-Methoxy-3-oxopropyl)tetrahydrofuran-2-carboxylate
CID 44632342
[3,4,5-Triacetyloxy-6-(3-oxopropyl)oxan-2-yl]methyl acetate
CID 72240758
9,10,12,13-Tetraacetoxy-octadecanoic acid methyl ester
CID 89134966
methyl 3-[(2R,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]propanoate
CID 100980847
Sorbitan, tetraoctadecanoate
CID 6454268
Sorbitan, tetradodecanoate
CID 44147512
[(2R)-2-[(2R,3R,4S)-3,4-di(docosanoyloxy)oxolan-2-yl]-2-docosanoyloxyethyl] docosanoate
CID 53664666
Methyl 2-(3,4,5-triacetyloxy-6-fluorooxan-2-yl)acetate
CID 123252871
5-(5-Oxooxolan-2-yl)oxolan-2-one
CID 13700970

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2,3-diacetyloxy-3-[(2R)-5-oxooxolan-2-yl]propyl] acetate?
The IUPAC name of [(2R,3S)-2,3-diacetyloxy-3-[(2R)-5-oxooxolan-2-yl]propyl] acetate (CID 14133450) is [(2R,3S)-2,3-diacetyloxy-3-[(2R)-5-oxooxolan-2-yl]propyl] acetate.
What is the SMILES notation for [(2R,3S)-2,3-diacetyloxy-3-[(2R)-5-oxooxolan-2-yl]propyl] acetate?
The canonical SMILES for [(2R,3S)-2,3-diacetyloxy-3-[(2R)-5-oxooxolan-2-yl]propyl] acetate is CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1CCC(=O)O1.
What is the InChIKey of [(2R,3S)-2,3-diacetyloxy-3-[(2R)-5-oxooxolan-2-yl]propyl] acetate?
The InChIKey is NRFXSLPSTKBSDT-WZRBSPASSA-N. The full InChI is InChI=1S/C13H18O8/c1-7(14)18-6-11(19-8(2)15)13(20-9(3)16)10-4-5-12(17)21-10/h10-11,13H,4-6H2,1-3H3/t10-,11-,13+/m1/s1.
What are the key properties of [(2R,3S)-2,3-diacetyloxy-3-[(2R)-5-oxooxolan-2-yl]propyl] acetate?
[(2R,3S)-2,3-diacetyloxy-3-[(2R)-5-oxooxolan-2-yl]propyl] acetate has a molecular weight of 302.28 g/mol, XLogP of 0.12, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2,3-diacetyloxy-3-[(2R)-5-oxooxolan-2-yl]propyl] acetate is sourced from PubChem (CID 14133450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).