| CAS Number | 73270-46-9 |
| Catalog Number | AG00FGYI(AGN-PC-0U2R4D) |
| Chemical Name | Diphenyl 1-(Cbz-Amino)-2-phenylethanephosphonate |
| IUPAC Name | benzyl N-(1-diphenoxyphosphoryl-2-phenylethyl)carbamate |
| InChI | InChI=1S/C28H26NO5P/c30-28(32-22-24-15-7-2-8-16-24)29-27(21-23-13-5-1-6-14-23)35(31,33-25-17-9-3-10-18-25)34-26-19-11-4-12-20-26/h1-20,27H,21-22H2,(H,29,30) |
| InChI Key | BKNZWAJOKMJQBT-UHFFFAOYSA-N |
| MDL Number | MFCD03158922 |
| Molecular Formula | C28H26NO5P |
| Molecular Weight | 487.4835 |
| SMILES | O=C(NC(P(=O)(Oc1ccccc1)Oc1ccccc1)Cc1ccccc1)OCc1ccccc1 |
| Synonyms | 73270-46-9,
Diphenyl 1-(Cbz-Amino)-2-phenylethanephosphonate,
(R,S)-Z-1-AMINO-2-PHENYLETHYL-PHOSPHONIC ACID DIPHENYL ESTER,
AC1LBTST,
C28H26NO5P,
SCHEMBL7403534,
CTK7G4165,
BKNZWAJOKMJQBT-UHFFFAOYSA-N,
Diphenyl 1-N-benzyloxycarbonylamino-2-phenylethylphosphonate,
KM1542,
MFCD03158922,
AKOS026673785,
V7531,
benzyl N-(1-diphenoxyphosphoryl-2-phenylethyl)carbamate,
N-[1-(Diphenoxyphosphinyl)-2-phenylethyl]- phenylMethyl ester,
alpha-(Benzyloxycarbonylamino)phenethylphosphonic acid diphenyl ester,
Diphenyl 1-([(benzyloxy)carbonyl]amino)-2-phenylethylphosphonate #,
diphenyl(1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl)phosphonate,
CID564121,
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| Complexity | 640 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 487.155g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 487.492g/mol |
| Monoisotopic Mass | 487.155g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 73.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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