| CAS Number | 65164-83-2 |
| Catalog Number | AG00EKQF(AGN-PC-0TFKW0) |
| Chemical Name | Diphenyl 1-(Cbz-Amino)isobutylphosphonate |
| IUPAC Name | benzyl N-(1-diphenoxyphosphoryl-2-methylpropyl)carbamate |
| InChI | InChI=1S/C24H26NO5P/c1-19(2)23(25-24(26)28-18-20-12-6-3-7-13-20)31(27,29-21-14-8-4-9-15-21)30-22-16-10-5-11-17-22/h3-17,19,23H,18H2,1-2H3,(H,25,26) |
| InChI Key | IBIWSUMXYFEOAT-UHFFFAOYSA-N |
| MDL Number | MFCD03158925 |
| Molecular Formula | C24H26NO5P |
| Molecular Weight | 439.4407 |
| SMILES | CC(C)C(NC(OCC1=CC=CC=C1)=O)P(OC2=CC=CC=C2)(OC3=CC=CC=C3)=O |
| Synonyms | DIPHENYL 1-(CBZ-AMINO)ISOBUTYLPHOSPHONATE,
65164-83-2,
AC1LBTN5,
MLS004256553,
C24H26NO5P,
SCHEMBL9970972,
CTK7G4164,
IBIWSUMXYFEOAT-UHFFFAOYSA-N,
Diphenyl 1-benzyloxycarbonylamino-2-methyl-propylphosphonate,
KM4060,
SMR003081572,
V7127,
benzyl N-(1-diphenoxyphosphoryl-2-methylpropyl)carbamate,
[1-(Diphenoxyphosphinyl)-2-methylpropyl]carbamic acid benzyl ester,
Diphenyl 1-([(benzyloxy)carbonyl]amino)-2-methylpropylphosphonate #,
diphenyl(1-{[(benzyloxy)carbonyl]amino}-2-methylpropyl)phosphonate,
CID564039,
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| Complexity | 557 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 439.155g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 439.448g/mol |
| Monoisotopic Mass | 439.155g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 73.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number