ChemSpider 2D Image | (R,S)-2-isopropyl-3-((1-(N-(Fmoc)amino)-methyl)-adamantyloxyphosphinyl)propanoic acid | C32H40NO6P

(R,S)-2-isopropyl-3-((1-(N-(Fmoc)amino)-methyl)-adamantyloxyphosphinyl)propanoic acid

  • Molecular FormulaC32H40NO6P
  • Average mass565.637 Da
  • Monoisotopic mass565.259338 Da
  • ChemSpider ID25947511

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

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

(2R)-2-{[(S)-(Adamantan-1-yloxy)({[(9H-fluoren-9-ylmethoxy)carbonyl]amino}methyl)phosphoryl]methyl}-3-methylbutanoic acid [ACD/IUPAC Name]
(2R)-2-{[(S)-(Adamantan-1-yloxy)({[(9H-fluoren-9-ylmethoxy)carbonyl]amino}methyl)phosphoryl]methyl}-3-methylbutansäure [German] [ACD/IUPAC Name]
(R,S)-2-isopropyl-3-((1-(N-(Fmoc)amino)-methyl)-adamantyloxyphosphinyl)propanoic acid
Acide (2R)-2-{[(S)-(adamantan-1-yloxy)({[(9H-fluorén-9-ylméthoxy)carbonyl]amino}méthyl)phosphoryl]méthyl}-3-méthylbutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-[[(S)-[(1S)-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl](tricyclo[3.3.1.13,7]dec-1-yloxy)phosphinyl]methyl]-3-methyl-, (2R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.607
Molar Refractivity: 151.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 1513.49
ACD/KOC (pH 5.5): 2832.05
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 25.20
ACD/KOC (pH 7.4): 47.15
Polar Surface Area: 112 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 438.7±5.0 cm3

Click to predict properties on the Chemicalize site


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