ChemSpider 2D Image | (2R,6S,12Z,13aS,14aR,16aS)-6-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-5,16-dioxo-14a-{[(1-propylcyclopropyl)sulfonyl]carbamoyl}-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e] pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 1,3-dihydro-2H-isoindole-2-carboxylate | C38H53N5O9S

(2R,6S,12Z,13aS,14aR,16aS)-6-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-5,16-dioxo-14a-{[(1-propylcyclopropyl)sulfonyl]carbamoyl}-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e] pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 1,3-dihydro-2H-isoindole-2-carboxylate

  • Molecular FormulaC38H53N5O9S
  • Average mass755.920 Da
  • Monoisotopic mass755.356384 Da
  • ChemSpider ID31137125

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,6S,12Z,13aS,14aR,16aS)-6-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-5,16-dioxo-14a-{[(1-propylcyclopropyl)sulfonyl]carbamoyl}-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e] pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 1,3-dihydro-2H-isoindole-2-carboxylate [ACD/IUPAC Name]
(2R,6S,12Z,13aS,14aR,16aS)-6-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-5,16-dioxo-14a-{[(1-propylcyclopropyl)sulfonyl]carbamoyl}-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e] pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl-1,3-dihydro-2H-isoindol-2-carboxylat [German] [ACD/IUPAC Name]
1,3-Dihydro-2H-isoindole-2-carboxylate de (2R,6S,12Z,13aS,14aR,16aS)-6-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-5,16-dioxo-14a-{[(1-propylcyclopropyl)sulfonyl]carbamoyl}-1,2,3,5,6,7,8,9,10,11,13a,1 4,14a,15,16,16a-hexadécahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadécin-2-yle [French] [ACD/IUPAC Name]
2H-Isoindole-2-carboxylic acid, 1,3-dihydro-, (2R,6S,12Z,13aS,14aR,16aS)-6-[[(1,1-dimethylethoxy)carbonyl]amino]-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydro-5,16-dioxo-14a-[[[(1-propylcyc lopropyl)sulfonyl]amino]carbonyl]cyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.616
Molar Refractivity: 196.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.67
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 189 Å2
Polarizability: 77.8±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 561.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement