ChemSpider 2D Image | (R)-[(2S)-3-{[(2S)-1-Amino-1-oxo-2-propanyl]amino}-2-methyl-3-oxopropyl][(1R)-1-{[(2R)-2-amino-3-(1H-tetrazol-5-yl)propanoyl]amino}-2-phenylethyl]phosphinic acid (non-preferred name) | C19H29N8O5P

(R)-[(2S)-3-{[(2S)-1-Amino-1-oxo-2-propanyl]amino}-2-methyl-3-oxopropyl][(1R)-1-{[(2R)-2-amino-3-(1H-tetrazol-5-yl)propanoyl]amino}-2-phenylethyl]phosphinic acid (non-preferred name)

  • Molecular FormulaC19H29N8O5P
  • Average mass480.458 Da
  • Monoisotopic mass480.199860 Da
  • ChemSpider ID35033647

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(R)-[(2S)-3-{[(2S)-1-Amino-1-oxo-2-propanyl]amino}-2-methyl-3-oxopropyl][(1R)-1-{[(2R)-2-amino-3-(1H-tetrazol-5-yl)propanoyl]amino}-2-phenylethyl]phosphinic acid (non-preferred name) [ACD/IUPAC Name]
(R)-[(2S)-3-{[(2S)-1-Amino-1-oxo-2-propanyl]amino}-2-methyl-3-oxopropyl][(1R)-1-{[(2R)-2-amino-3-(1H-tetrazol-5-yl)propanoyl]amino}-2-phenylethyl]phosphinsäure (non-preferred name) [German] [ACD/IUPAC Name]
[3-[[(2s)-1-Azanyl-1-Oxidanylidene-Propan-2-Yl]amino]-2-Methyl-3-Oxidanylidene-Propyl]-[(1r)-1-[[(2r)-2-Azanyl-3-(1h-1,2,3,4-Tetrazol-5-Yl)propanoyl]amino]-2-Phenyl-Ethyl]phosphinic Acid
Acide (R)-[(2S)-3-{[(2S)-1-amino-1-oxo-2-propanyl]amino}-2-méthyl-3-oxopropyl][(1R)-1-{[(2R)-2-amino-3-(1H-tétrazol-5-yl)propanoyl]amino}-2-phényléthyl]phosphinique (non-preferred name) [French] [ACD/IUPAC Name]
Phosphinic acid, P-[(1R,2S)-3-[[(1S)-2-amino-1-methyl-2-oxoethyl]amino]-2-methyl-3-oxopropyl]-P-[(1R,1R)-1-[[(2R)-2-amino-1-oxo-3-(1H-tetrazol-5-yl)propyl]amino]-2-phenylethyl]-, (R)- [ACD/Index Name]
1IU

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: 1.598
Molar Refractivity: 117.9±0.3 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -1.05
ACD/LogD (pH 5.5): -4.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 229 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 71.1±3.0 dyne/cm
Molar Volume: 345.5±3.0 cm3

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