Basic information
- CAS
51920-94-6- Standard SMILES
CN1C(=O)[C@]2(CO)SSC1(Cc1ccccc1)C(=O)N2C- InChIKey
SJRIMIDQFZMJPZ-KBPBESRZSA-N- Molecular formula
- C14H16N2O3S2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.06023472
Overview
Hyalodendrin has been reported in Hyalodendron with data available.
Names & identifiers
- Preferred name
- Hyalodendrin
- IUPAC
- (4S)-1-benzyl-4-(hydroxymethyl)-5,7-dimethyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
- English name
- HYALODENDRIN
- Molecular formula
- C14H16N2O3S2
- Molecular weight
- 324.42
Names & synonyms
Hyalodendrin51920-94-61-(Hydroxymethyl)-5,7-dimethyl-4-(phenylmethyl)-2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dioneRefChem:146958AKOS0302132002,3-Dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione, 1-(hydroxymethyl)-5,7-dimethyl-4-(phenylmethyl)-, (1S)-A 26771 A(+)-Hyalodendrin(1s)-hyl-4-(phenylmethyl)2-BENZYL-1,4-DIMETHYL-5-HYDROXYMETHYL-2,5-EPI-DITHIA-3,6-DIKETOPIPERAZINE2,3-dithia-5,7-diazabicyclo(2.2.2)octane-6,8-dione,1-(hydroxymethyl)-5,7-dimet(1S,4S)-4-Benzyl-1-hydroxymethyl-5,7-dimethyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
Show more names
(1S,4S)-1-benzyl-4-(hydroxymethyl)-6,8-dimethyl-2,3-dithia-6,8-diazabicyclo[2.2.2]octane-5,7-dione(1S,4S)-1-Hydroxymethyl-5,7-dimethyl-4-phenylmethyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 469
Physicochemical properties
- Boiling point
- 580.5 · 580.5±50.0 °C(Predicted)
- Density
- 1.452 · 1.452±0.06 g/cm3(Predicted)
- pka
- 13.1 · 13.10±0.10(Predicted)
Chemistry & industry
Applications
Uses(+)-Hyalodendrin is a growth inhibitor with antimicrobial activity. (+)-Hyalodendrin is commonly used in the treatment of Dutch elm disease in plants.
Suppliers5 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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