Basic information
- CAS
2757287-59-3- Standard SMILES
COc1ccc(-c2cc3ccccc3c3c2OP(=O)(NS(=O)(=O)C(F)(F)F)Oc2c(-c4ccc(OC)cc4)cc4ccccc4c2-3)cc1- InChIKey
TZIBOBXMYZDLOR-UHFFFAOYSA-N- Molecular formula
- C35H25F3NO7PS
- Average molar mass
- 691.6 g/mol
Names & identifiers
- Preferred name
- N-((11bS)-2,6-Bis(4-methoxyphenyl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide
- IUPAC
- N-[10,16-bis(4-methoxyphenyl)-13-oxo-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]-1,1,1-trifluoromethanesulfonamide
- English name
- N-((11bS)-2,6-Bis(4-methoxyphenyl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide
- Molecular formula
- C35H25F3NO7PS
- Molecular weight
- 691.61
Names & synonyms
2757287-59-3N-((11bS)-2,6-Bis(4-methoxyphenyl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide1486486-92-3N-((11bR)-2,6-Bis(4-methoxyphenyl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamideN-[(11bS)-2,6-Bis(4-methoxyphenyl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamideC35H25F3NO7PSMFCD34598827F74948Methanesulfonamide, N-[(11bS)-2,6-bis(4-methoxyphenyl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoro-N-(2,6-bis(4-methoxyphenyl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamideN-[10,16-bis(4-methoxyphenyl)-13-oxo-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]-1,1,1-trifluoro-methanesulfonamideN-[10,16-bis(4-methoxyphenyl)-13-oxo-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]-1,1,1-trifluoromethanesulfonamide
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,200
Physicochemical properties
- Boiling point
- 802 · 802.0±75.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- -4.89 · -4.89±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers9 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
上海安屹诺生物医药科技有限公司021-34625901 · [email protected]
上海燧伏化工科技有限公司33738187 19945655289 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
扬州摩笛尔电子材料有限公司13761402923 19975033992 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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