ChemSpider 2D Image | (2S)-1-Methoxy-1-oxo-3-phenyl-2-propanyl [(5S,8R)-5-isopropyl-3,6-dioxo-4,7-diazatricyclo[8.6.2.0~13,17~]octadeca-1(16),10(18),11,13(17),14-pentaen-8-yl]phosphonate | C29H32N2O7P

(2S)-1-Methoxy-1-oxo-3-phenyl-2-propanyl [(5S,8R)-5-isopropyl-3,6-dioxo-4,7-diazatricyclo[8.6.2.013,17]octadeca-1(16),10(18),11,13(17),14-pentaen-8-yl]phosphonate

  • Molecular FormulaC29H32N2O7P
  • Average mass551.548 Da
  • Monoisotopic mass551.195251 Da
  • ChemSpider ID4451205

  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-1-Methoxy-1-oxo-3-phenyl-2-propanyl [(5S,8R)-5-isopropyl-3,6-dioxo-4,7-diazatricyclo[8.6.2.013,17]octadeca-1(16),10(18),11,13(17),14-pentaen-8-yl]phosphonate [ACD/IUPAC Name]
(2S)-1-Methoxy-1-oxo-3-phenyl-2-propanyl-[(5S,8R)-5-isopropyl-3,6-dioxo-4,7-diazatricyclo[8.6.2.013,17]octadeca-1(16),10(18),11,13(17),14-pentaen-8-yl]phosphonat [German] [ACD/IUPAC Name]
[(5S,8R)-5-Isopropyl-3,6-dioxo-4,7-diazatricyclo[8.6.2.013,17]octadéca-1(16),10(18),11,13(17),14-pentaén-8-yl]phosphonate de (2S)-1-méthoxy-1-oxo-3-phényl-2-propanyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[[hydroxy[(4S,7R)-1,2,3,4,5,6,7,8-octahydro-4-(1-methylethyl)-2,5-dioxo-9,11-etheno-3,6-benzodiazacyclododecin-7-yl]phosphinyl]oxy]-, methyl ester, ion(1-), (αS)- [ACD/Index Name]
METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-2-(HYDROXYL-(1S)-1-METHYLOXYCARBONYL-2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE]
PP6

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.61
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability:
Surface Tension:
Molar Volume:

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