Dimethyl((3S)-4,4-dimethyl-3-(boc-amino)-2-oxopentyl)-phosphonate
Basic information
- CAS
176504-89-5- Standard SMILES
COP(=O)(CC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)OC- InChIKey
YZGNGDYZKMFCMO-LLVKDONJSA-N- Molecular formula
- C14H28NO6P
- Average molar mass
- 337.35 g/mol
- Monoisotopic mass
- 337.16542461
Names & identifiers
- Preferred name
- Dimethyl((3S)-4,4-dimethyl-3-(boc-amino)-2-oxopentyl)-phosphonate
- IUPAC
- tert-butyl N-[(3S)-1-dimethoxyphosphoryl-4,4-dimethyl-2-oxopentan-3-yl]carbamate
- English name
- Dimethyl ((3S)-4,4-dimethyl-3-(Boc-amino)-2-oxopentyl)-phosphonate
- Molecular formula
- C14H28NO6P
- Molecular weight
- 337.35
Names & synonyms
176504-89-5DIMETHYL((3S)-4,4-DIMETHYL-3-(BOC-AMINO)-2-OXOPENTYL)-PHOSPHONATEtert-butyl N-[(3S)-1-dimethoxyphosphoryl-4,4-dimethyl-2-oxopentan-3-yl]carbamateDimethyl((3S)-4,4-dimethyl-3-(Boc-amino)-2-oxopentyl)phosphonateC14H28NO6P(S)-tert-Butyl (1-(dimethoxyphosphoryl)-4,4-dimethyl-2-oxopentan-3-yl)carbamateMFCD00798804DTXSID10427340AKOS027382466AT17720Carbamic acid, N-[(1S)-1-[2-(dimethoxyphosphinyl)acetyl]-2,2-dimethylpropyl]-, 1,1-dimethylethyl esterDB-243434
Show more names
Dimethyl ((3S)-4,4-dimethyl-3-(Boc-amino)-2-oxopentyl)-phosphonateDimethyl((3S)-4,4-dimethyl-3-(Boc-amino)-2-oxopentyl)phosphonate≥ 97% (TLC)dimethyl -2-oxopentyl>phosphonate
Dimethyl {(3S)-3-[(tert-butoxycarbonyl)amino]-4,4-dimethyl-2-oxopentyl}phosphonateDimethyl((3S)-4,4-dimethyl-3-(Boc-amino)-2-oxopentyl)-phosphonate (Q-2145.0250)TERT-BUTYL (S)-(1-(DIMETHOXYPHOSPHORYL)-4,4-DIMETHYL-2-OXOPENTAN-3-YL)CARBAMATEtert-butyl N-[(1S)-1-(2-dimethoxyphosphorylacetyl)-2,2-dimethyl-propyl]carbamateDimethyl [(3s)-4,4-dimethyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-oxopentyl]phosphonate
Database identifiers
- CAS
176504-89-5- PubChem CID
- 7021152
- DTXSID
DTXSID10427340
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 441
Physicochemical properties
- Boiling point
- 429.1 · 429.1±30.0 °C(Predicted)
- Density
- 1.101 · 1.101±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 11.04 · 11.04±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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