Basic information
- CAS
1704095-38-4- Standard SMILES
COc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1B(O)O- InChIKey
ZGTGDEGLRKGPKE-UHFFFAOYSA-N- Molecular formula
- C14H20BNO7S
- Average molar mass
- 357.2 g/mol
- Monoisotopic mass
- 357.1053533
Names & identifiers
- Preferred name
- (5-(1,4-Dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-methoxyphenyl)boronic acid
- IUPAC
- [5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-methoxyphenyl]boronic acid
- English name
- (5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-Methoxyphenyl)boronic acid
- Molecular formula
- C14H20BNO7S
- Molecular weight
- 357.19
Names & synonyms
1704095-38-4(5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-methoxyphenyl)boronic acid[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-methoxyphenyl]boronic acid(5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-2-methoxyphenyl)boronic acidstarbld0017614I12597(5-((1,4-Dioxa-8-azaspiro[4.5]Decan-8-yl)sulfonyl)-2-methoxyphenyl)boronic acidBoronic acid, B-[5-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylsulfonyl)-2-methoxyphenyl]-
Database identifiers
- CAS
1704095-38-4- PubChem CID
- 91759376
Properties
Computed structural properties
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 522
Physicochemical properties
- Boiling point
- 602.2 · 602.2±65.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 7 · 7+-.0.58(Predicted)
Chemistry & industry
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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