ChemSpider 2D Image | MFCD03788012 | C34H47N3O9

MFCD03788012

  • Molecular FormulaC34H47N3O9
  • Average mass641.752 Da
  • Monoisotopic mass641.331238 Da
  • ChemSpider ID8114922

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-6-{[(Benzyloxy)carbonyl]amino}-2-{[(2S)-4-(benzyloxy)-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoyl]amino}hexanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
174630-04-7 [RN]
2-Methyl-2-propanyl (2S)-6-{[(benzyloxy)carbonyl]amino}-2-{[(2S)-4-(benzyloxy)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoyl]amino}hexanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-6-{[(benzyloxy)carbonyl]amino}-2-{[(2S)-4-(benzyloxy)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-oxobutanoyl]amino}hexanoat [German] [ACD/IUPAC Name]
Boc-Asp(Obzl)-Lys(Z)-OtBu
MFCD03788012
Reversin 121
tert-Butyl (2S)-2-({(2S)-4-(benzyloxy)-2-[(tert-butoxycarbonyl)amino]-4-oxobutanoyl}amino)-6-{[(benzyloxy)carbonyl]amino}hexanoate (non-preferred name)
2-(1,1-dimethylethyl) 1-(phenylmethyl) ester N-[(1,1-dimethylethoxy)carbonyl]-L-a-aspartyl-N6-[(phenylmethoxy)carbonyl]-L-lysine
TERT-BUTYL (2S)-2-[(2S)-4-(BENZYLOXY)-2-[(TERT-BUTOXYCARBONYL)AMINO]-4-OXOBUTANAMIDO]-6-{[(BENZYLOXY)CARBONYL]AMINO}HEXANOATE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 786.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 429.7±32.9 °C
Index of Refraction: 1.531
Molar Refractivity: 170.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 10455.64
ACD/KOC (pH 5.5): 26220.39
ACD/LogD (pH 7.4): 5.59
ACD/BCF (pH 7.4): 10446.83
ACD/KOC (pH 7.4): 26198.29
Polar Surface Area: 158 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 551.4±3.0 cm3

Click to predict properties on the Chemicalize site


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