(3AS,3'aS,7aS,7'aS)-2,2'-[[(1R,3R)-1,3-Dimethyl-1,3-propanediyl]bis(oxy)]bis[octahydro-1,3-diphenyl-1H-1,3,2-benzodiazaphosphole]
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Basic information
- CAS
1384535-76-5- Standard SMILES
C[C@H](C[C@@H](C)OP1N(c2ccccc2)[C@H]2CCCC[C@@H]2N1c1ccccc1)OP1N(c2ccccc2)[C@H]2CCCC[C@@H]2N1c1ccccc1- InChIKey
WRCZYHWWUWWAJL-CFLJHLTOSA-N- Molecular formula
- C41H50N4O2P2
- Average molar mass
- 692.8 g/mol
- Monoisotopic mass
- 692.34090085
Names & identifiers
- Preferred name
- (3AS,3'aS,7aS,7'aS)-2,2'-[[(1R,3R)-1,3-Dimethyl-1,3-propanediyl]bis(oxy)]bis[octahydro-1,3-diphenyl-1H-1,3,2-benzodiazaphosphole]
- IUPAC
- (3aS,7aS)-2-[(2R,4R)-4-[[(3aS,7aS)-1,3-diphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]pentan-2-yl]oxy-1,3-diphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphole
- English name
- (3aS,7aS)-2-(((2R,4R)-4-(((3aS,7aS)-1,3-diphenyloctahydro-2H-isophosphindol-2-yl)oxy)pentan-2-yl)oxy)-1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole
- Molecular formula
- C41H50N4O2P2
- Molecular weight
- 692.81
Names & synonyms
1384535-76-5(3AS,3'aS,7aS,7'aS)-2,2'-[[(1R,3R)-1,3-Dimethyl-1,3-propanediyl]bis(oxy)]bis[octahydro-1,3-diphenyl-1H-1,3,2-benzodiazaphosphole](3aS,3a'S,7aS,7a'S)-2,2'-(((2R,4R)-pentane-2,4-diyl)bis(oxy))bis(1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole)C41H50N4O2P2(3aS,7aS)-2-(((2R,4R)-4-(((3aS,7aS)-1,3-diphenyloctahydro-2H-isophosphindol-2-yl)oxy)pentan-2-yl)oxy)-1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphospholeMFCD32173534CS-0165861F73071F552542(3aS,3 inverted exclamation markaaS,7aS,7 inverted exclamation markaaS)-2,2 inverted exclamation marka-[[(1R,3R)-1,3-Dimethyl-1,3-propanediyl]bis(oxy)]bis[octahydro-1,3-diphenyl-1H-1,3,2-benzodiazaphosphole](3AS,3'aS,7aS,7'aS)-2,2'-[[(1R,3R)-1,3-Dimethyl-1,3-propanediyl]bis(oxy)]bis[octahydro-1,3-diphenyl-1H-1,3,2-benzodiazaphosphole(3aS,3a'S,7aS,7a'S)-2,2'-(((2R,4R)-Pentane-2,4-diyl)bis(oxy))bis(1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole) - [P89320]
Properties
Computed structural propertiesFilling in
- XLogP
- 11.2
- Topological polar surface area
- 31.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 869
Physicochemical properties
- Boiling point
- 741.8 · 741.8±70.0 °C(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light, stored under nitrogen
- pka
- 3.03 · 3.03±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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