ChemSpider 2D Image | (2R)-2-Acetamido-3-[(2S)-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-1-pyrrolidinyl]propyl dihydrogen phosphate | C20H29N4O6P

(2R)-2-Acetamido-3-[(2S)-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-1-pyrrolidinyl]propyl dihydrogen phosphate

  • Molecular FormulaC20H29N4O6P
  • Average mass452.441 Da
  • Monoisotopic mass452.182465 Da
  • ChemSpider ID26328832

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2r)-2-(Acetylamino)-3-[(2s)-2-{[2-(1h-Indol-3-Yl)ethyl]carbamoyl}pyrrolidin-1-Yl]propyl Dihydrogen Phosphate
(2R)-2-Acetamido-3-[(2S)-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-1-pyrrolidinyl]propyl dihydrogen phosphate [ACD/IUPAC Name]
(2R)-2-Acetamido-3-[(2S)-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}-1-pyrrolidinyl]propyldihydrogenphosphat [German] [ACD/IUPAC Name]
2-Pyrrolidinecarboxamide, 1-[(2R)-2-(acetylamino)-3-(phosphonooxy)propyl]-N-[2-(1H-indol-3-yl)ethyl]-, (2S)- [ACD/Index Name]
Dihydrogénophosphate de (2R)-2-acétamido-3-[(2S)-2-{[2-(1H-indol-3-yl)éthyl]carbamoyl}-1-pyrrolidinyl]propyle [French] [ACD/IUPAC Name]
RZD

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.616
Molar Refractivity: 114.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -3.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 66.0±3.0 dyne/cm
Molar Volume: 328.4±3.0 cm3

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