ChemSpider 2D Image | (2R)-2-{[(2R)-2-{[(R)-Hydroxy{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}phosphoryl]amino}-4-methylpentanoyl]amino}-3-(1H-indol-3-yl)propanoic acid | C23H34N3O10P

(2R)-2-{[(2R)-2-{[(R)-Hydroxy{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}phosphoryl]amino}-4-methylpentanoyl]amino}-3-(1H-indol-3-yl)propanoic acid

  • Molecular FormulaC23H34N3O10P
  • Average mass543.504 Da
  • Monoisotopic mass543.198181 Da
  • ChemSpider ID26329761
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(2R)-2-{[(2R)-2-{[(R)-Hydroxy{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}phosphoryl]amino}-4-methylpentanoyl]amino}-3-(1H-indol-3-yl)propanoic acid [ACD/IUPAC Name]
(2R)-2-{[(2R)-2-{[(R)-Hydroxy{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}phosphoryl]amino}-4-methylpentanoyl]amino}-3-(1H-indol-3-yl)propansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-{[(2R)-2-{[(R)-hydroxy{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}phosphoryl]amino}-4-méthylpentanoyl]amino}-3-(1H-indol-3-yl)propanoïque [French] [ACD/IUPAC Name]
(2R)-2-[(2R)-2-{[hydroxy({[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})phosphoryl]amino}-4-methylpentanamido]-3-(indol-3-yl)propanoic acid
(2R)-2-[[(2R)-2-[[hydroxy-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphosphoryl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
36357-77-4 [RN]
MFCD30179335
Phosphoramidon [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.632
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.86
ACD/LogD (pH 5.5): -4.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 220 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 77.5±5.0 dyne/cm
Molar Volume: 367.1±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement