Basic information
- CAS
142382-46-5- Standard SMILES
COC1C(OC(C)CCCCCC(CCCCCCCCCCCCCCCC2CC(=O)OCC3OC(OC(CCCCCCCCCCCCCC(CCCCCC(C)=O)OC4OC(CO)C(O)C(O)C4OC)CC(=O)OCC4OC(O2)C(O)C(O)C4O)C(O)C(O)C3O)OC2OC(CO)C(O)C(O)C2OC)OC(CO)C(O)C1O- InChIKey
XRRQVPARIZEWDY-UHFFFAOYSA-N- Molecular formula
- C83H150O33
- Average molar mass
- 1,676.1 g/mol
- Monoisotopic mass
- 1,675.0059372
Overview
Cycloviracin B2 is a lipopolysaccharide.
Names & identifiers
- Preferred name
- Cycloviracin B2
- IUPAC
- 3-[16,22-bis[[4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy]tricosyl]-14-[14-[4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy-20-oxohenicosyl]-9,10,11,20,21,22-hexahydroxy-2,6,13,17,23,24-hexaoxatricyclo[17.3.1.18,12]tetracosane-5,16-dione
- English name
- cycloviracin B2
- Molecular formula
- C83H150O33
- Molecular weight
- 1676.06
Names & synonyms
Cycloviracin B2Cycloviracin-B2142382-46-53-[16,22-bis[[4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy]tricosyl]-14-[14-[4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy-20-oxohenicosyl]-9,10,11,20,21,22-hexahydroxy-2,6,13,17,23,24-hexaoxatricyclo[17.3.1.18,12]tetracosane-5,16-dione3-(16,22-bis((4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl)oxy)tricosyl)-14-(14-(4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl)oxy-20-oxohenicosyl)-9,10,11,20,21,22-hexahydroxy-2,6,13,17,23,24-hexaoxatricyclo(17.3.1.18,12)tetracosane-5,16-dioneRefChem:1300482,6,13,17,23,24-Hexaoxatricyclo(17.3.1.1(8,12))tetracosane-5,16-dione, 3-(16,22-bis(2-O-methyl-beta-D-glucopyranosyl)oxy)tricosyl)-9,10,11,20,21,22-hexahydroxy-14-(14-(14-((2-O-methyl-beta-D-glucopyranosyl)oxy)-20-oxoheneicosyl)-orb3024583CHEBI:202116TN103382,6,13,17,23,24-Hexaoxatricyclo[17.3.1.18,12]tetracosane-5,16-dione, 3-[16,22-bis[(2-O-methyl-β-D-glucopyranosyl)oxy]tricosyl]-9,10,11,20,21,22-hexahydroxy-14-[14-[(2-O-methyl-β-D-glucopyranosyl)oxy]-20-oxoheneicosyl]- (9CI)
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 493 Ų
- Hydrogen bond donors
- 15
- Hydrogen bond acceptors
- 33
- Rotatable bonds
- 54
- Heavy atoms
- 116
- Formal charge
- 0
- Complexity
- 2,570
Physicochemical properties
- Boiling point
- 1453.7 · 1453.7±65.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 12.56 · 12.56±0.70(Predicted)
Chemistry & industry
Applications
UsesCycloviracin B2 is an antibiotic with antiviral activity. Cycloviracin B2 has a strong inhibitory activity against herpes simplex virus type 1 (HSV-1)[1].
Suppliers1 total
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Related reactions
0 records
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Compound notes
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