D-Glucitol, 1,6-dibenzoate 2,3,4,5-tetrakis((bis(1-aziridinyl)phosphinyl)carbamate)
Basic information
- CAS
47914-99-8- Standard SMILES
O=C(NP(=O)(N1CC1)N1CC1)O[C@@H]([C@H](OC(=O)NP(=O)(N1CC1)N1CC1)[C@@H](COC(=O)c1ccccc1)OC(=O)NP(=O)(N1CC1)N1CC1)[C@H](COC(=O)c1ccccc1)OC(=O)NP(=O)(N1CC1)N1CC1- InChIKey
GLNDGRVJJBGDER-KMKAFXEASA-N- Molecular formula
- C40H54N12O16P4
- Average molar mass
- 1,082.8 g/mol
- Monoisotopic mass
- 1,082.27312167
Names & identifiers
- Preferred name
- D-Glucitol, 1,6-dibenzoate 2,3,4,5-tetrakis((bis(1-aziridinyl)phosphinyl)carbamate)
- IUPAC
- [(2S,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrakis[bis(aziridin-1-yl)phosphorylcarbamoyloxy]hexyl] benzoate
- English name
- [(2R,3R,4R,5S)-6-benzoyloxy-2,3,4,5-tetrakis(diaziridin-1-ylphosphoryl carbamoyloxy)hexyl] benzoate
- Molecular formula
- C40H54N12O16P4
- Molecular weight
- 1082.82
Names & synonyms
D-Glucitol, 1,6-dibenzoate 2,3,4,5-tetrakis((bis(1-aziridinyl)phosphinyl)carbamate)47914-99-8RefChem:1082880D-Glucitol, 1,6-dibenzoate 2,3,4,5-tetrakis[[bis(1-aziridinyl)phosphinyl]carbamate] (9CI)[(2R,3R,4R,5S)-6-benzoyloxy-2,3,4,5-tetrakis(diaziridin-1-ylphosphoryl carbamoyloxy)hexyl] benzoate
Database identifiers
- CAS
47914-99-8- PubChem CID
- 206294
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 298 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 24
- Rotatable bonds
- 31
- Heavy atoms
- 72
- Formal charge
- 0
- Complexity
- 2,080
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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