4-(2-t-Butoxycarbonylaminoethyl)phenoxymethyl phosphonic acid, diethyl ester
Basic information
- Standard SMILES
CCOP(=O)(COc1ccc(CCNC(=O)OC(C)(C)C)cc1)OCC- InChIKey
UACIQQYRVGEUQK-UHFFFAOYSA-N- Molecular formula
- C18H30NO6P
- Average molar mass
- 387.4 g/mol
Names & identifiers
- Preferred name
- 4-(2-t-Butoxycarbonylaminoethyl)phenoxymethyl phosphonic acid, diethyl ester
- IUPAC
- tert-butyl N-[2-[4-(diethoxyphosphorylmethoxy)phenyl]ethyl]carbamate
Names & synonyms
SCHEMBL8230392UACIQQYRVGEUQK-UHFFFAOYSA-N4-(2-t-Butoxycarbonylaminoethyl)phenoxymethyl phosphonic acid, diethyl ester4-(2-t-Butoxycarbonylaminoethyl)phenoxymethylphosphonic acid, diethyl ester
Database identifiers
- PubChem CID
- 86752191
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 447
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Related reactions
2 records
Compound notes
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