[(2R,3R,4R)-3,4-diacetyloxy-5-(4-carbamoyl-1,3-selenazol-2-yl)oxolan-2-yl]methyl acetate

C15H18N2O8Se — CID 88733488

IUPAC[(2R,3R,4R)-3,4-diacetyloxy-5-(4-carbamoyl-1,3-selenazol-2-yl)oxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC(c2nc(C(N)=O)c[se]2)[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C15H18N2O8Se/c1-6(18)22-4-10-11(23-7(2)19)12(24-8(3)20)13(25-10)15-17-9(5-26-15)14(16)21/h5,10-13H,4H2,1-3H3,(H2,16,21)/t10-,11-,12-,13?/m1/s1
InChIKeyGXFIQGYGJJDUOA-PFGBXZAXSA-N
MW433.28 g/mol
LogP-0.90
Rot. Bonds6

About [(2R,3R,4R)-3,4-diacetyloxy-5-(4-carbamoyl-1,3-selenazol-2-yl)oxolan-2-yl]methyl acetate

[(2R,3R,4R)-3,4-diacetyloxy-5-(4-carbamoyl-1,3-selenazol-2-yl)oxolan-2-yl]methyl acetate (PubChem CID 88733488) has the molecular formula C15H18N2O8Se and a molecular weight of 433.28 g/mol. Its IUPAC name is [(2R,3R,4R)-3,4-diacetyloxy-5-(4-carbamoyl-1,3-selenazol-2-yl)oxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,4R)-3,4-diacetyloxy-5-(4-carbamoyl-1,3-selenazol-2-yl)oxolan-2-yl]methyl acetate
PubChem CID88733488
Molecular FormulaC15H18N2O8Se
Molecular Weight433.28 g/mol
Exact Mass434.02
IUPAC Name[(2R,3R,4R)-3,4-diacetyloxy-5-(4-carbamoyl-1,3-selenazol-2-yl)oxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC(c2nc(C(N)=O)c[se]2)[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C15H18N2O8Se/c1-6(18)22-4-10-11(23-7(2)19)12(24-8(3)20)13(25-10)15-17-9(5-26-15)14(16)21/h5,10-13H,4H2,1-3H3,(H2,16,21)/t10-,11-,12-,13?/m1/s1
InChIKeyGXFIQGYGJJDUOA-PFGBXZAXSA-N
XLogP-0.90
TPSA144.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.28
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [(2R,3R,4R)-3,4-diacetyloxy-5-(4-carbamoyl-1,3-selenazol-2-yl)oxolan-2-yl]methyl 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

[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate
CID 131700350
[(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-phenyloxan-2-yl]methyl acetate
CID 14237836
[(2R,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-(2H-tetrazol-5-yl)oxan-2-yl]methyl acetate
CID 2802089
[(5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl acetate
CID 118601719
[(2R,3R,4R,5R)-3,5-diacetyloxy-4-carbamoyloxy-6-methyloxan-2-yl]methyl acetate
CID 134350670
[(2S,3R,4S,5R)-3,4-diacetyloxy-5-phenylselanyloxolan-2-yl]methyl acetate
CID 10693172
4-[(2S,3S,4R,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]benzenediazonium
CID 101272024
[(2R,3R,4R,5S)-3,4,5-triacetyloxy(513C)oxolan-2-yl]methyl acetate
CID 11461323
[(3S,4R,6S)-3,4-diacetyloxy-5,6-dimethyloxan-2-yl]methyl acetate
CID 71155336
[(2S,3R,4S,5R)-3,4-diacetyloxy-5-sulfanyloxolan-2-yl]methyl acetate
CID 91464161
[(2R,3S,5S)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate
CID 24802529
methyl 5-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-2-methyl-1H-pyrrole-3-carboxylate
CID 540545

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-3,4-diacetyloxy-5-(4-carbamoyl-1,3-selenazol-2-yl)oxolan-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,4R)-3,4-diacetyloxy-5-(4-carbamoyl-1,3-selenazol-2-yl)oxolan-2-yl]methyl acetate (CID 88733488) is [(2R,3R,4R)-3,4-diacetyloxy-5-(4-carbamoyl-1,3-selenazol-2-yl)oxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,4R)-3,4-diacetyloxy-5-(4-carbamoyl-1,3-selenazol-2-yl)oxolan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,4R)-3,4-diacetyloxy-5-(4-carbamoyl-1,3-selenazol-2-yl)oxolan-2-yl]methyl acetate is CC(=O)OC[C@H]1OC(c2nc(C(N)=O)c[se]2)[C@H](OC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4R)-3,4-diacetyloxy-5-(4-carbamoyl-1,3-selenazol-2-yl)oxolan-2-yl]methyl acetate?
The InChIKey is GXFIQGYGJJDUOA-PFGBXZAXSA-N. The full InChI is InChI=1S/C15H18N2O8Se/c1-6(18)22-4-10-11(23-7(2)19)12(24-8(3)20)13(25-10)15-17-9(5-26-15)14(16)21/h5,10-13H,4H2,1-3H3,(H2,16,21)/t10-,11-,12-,13?/m1/s1.
What are the key properties of [(2R,3R,4R)-3,4-diacetyloxy-5-(4-carbamoyl-1,3-selenazol-2-yl)oxolan-2-yl]methyl acetate?
[(2R,3R,4R)-3,4-diacetyloxy-5-(4-carbamoyl-1,3-selenazol-2-yl)oxolan-2-yl]methyl acetate has a molecular weight of 433.28 g/mol, XLogP of -0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-3,4-diacetyloxy-5-(4-carbamoyl-1,3-selenazol-2-yl)oxolan-2-yl]methyl acetate is sourced from PubChem (CID 88733488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).