ChemSpider 2D Image | {4-[(9S,10S,11E,14S,18S)-18-(2-Amino-2-oxoethyl)-9-(carboxymethyl)-14-(1-naphthylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]phenyl}malonic acid | C41H46N4O10

{4-[(9S,10S,11E,14S,18S)-18-(2-Amino-2-oxoethyl)-9-(carboxymethyl)-14-(1-naphthylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]phenyl}malonic acid

  • Molecular FormulaC41H46N4O10
  • Average mass754.825 Da
  • Monoisotopic mass754.321411 Da
  • ChemSpider ID8548358

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{4-[(9S,10S,11E,14S,18S)-18-(2-Amino-2-oxoethyl)-9-(carboxymethyl)-14-(1-naphthylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]phenyl}malonic acid [ACD/IUPAC Name]
{4-[(9S,10S,11E,14S,18S)-18-(2-Amino-2-oxoethyl)-9-(carboxymethyl)-14-(1-naphthylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]phenyl}malonsäure [German] [ACD/IUPAC Name]
Acide {4-[(9S,10S,11E,14S,18S)-18-(2-amino-2-oxoéthyl)-9-(carboxyméthyl)-14-(1-naphtylméthyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-én-10-yl]phényl}malonique [French] [ACD/IUPAC Name]
Propanedioic acid, 2-[4-[(9S,10S,11E,14S,18S)-18-(2-amino-2-oxoethyl)-9-(carboxymethyl)-14-(1-naphthalenylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]eicos-11-en-10-yl]phenyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1164.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 180.2±3.0 kJ/mol
Flash Point: 657.7±34.3 °C
Index of Refraction: 1.663
Molar Refractivity: 200.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.80
ACD/LogD (pH 5.5): -1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 242 Å2
Polarizability: 79.5±0.5 10-24cm3
Surface Tension: 76.3±5.0 dyne/cm
Molar Volume: 541.0±5.0 cm3

Click to predict properties on the Chemicalize site


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