ChemSpider 2D Image | 2-Methyl-2-propanyl N-[bis(4-nitrophenoxy)phosphoryl]-L-alanyl-L-prolinate | C24H29N4O10P

2-Methyl-2-propanyl N-[bis(4-nitrophenoxy)phosphoryl]-L-alanyl-L-prolinate

  • Molecular FormulaC24H29N4O10P
  • Average mass564.482 Da
  • Monoisotopic mass564.162109 Da
  • ChemSpider ID112513

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Methyl-2-propanyl N-[bis(4-nitrophenoxy)phosphoryl]-L-alanyl-L-prolinate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-[bis(4-nitrophenoxy)phosphoryl]-L-alanyl-L-prolinat [German] [ACD/IUPAC Name]
L-Proline, N-[bis(4-nitrophenoxy)phosphinyl]-L-alanyl-, 1,1-dimethylethyl ester [ACD/Index Name]
N-[Bis(4-nitrophénoxy)phosphoryl]-L-alanyl-L-prolinate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
97280-42-7 [RN]
Bnp-ala-pro
L-Proline, 1-(N-(bis(4-nitrophenoxy)phosphinyl)-L-alanyl)-, 1,1-dimethylethyl ester
N(α)-(Bis(4-nitrophenoxy)phosphoryl)alanylproline
N(α)-(Bis(4-nitrophenoxy)phosphoryl)-L-alanyl-L-proline
TERT-BUTYL (2S)-1-[(2S)-2-{[BIS(4-NITROPHENOXY)PHOSPHORYL]AMINO}PROPANOYL]PYRROLIDINE-2-CARBOXYLATE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 696.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 374.8±34.3 °C
Index of Refraction: 1.584
Molar Refractivity: 136.7±0.3 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 358.13
ACD/KOC (pH 5.5): 2343.09
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 358.13
ACD/KOC (pH 7.4): 2343.09
Polar Surface Area: 196 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 408.5±3.0 cm3

Click to predict properties on the Chemicalize site


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