ChemSpider 2D Image | (1R,18R,22R,26S,29S)-26-Cyclopentyl-7-methoxy-N-[(1R,2S)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-2-vinylcyclopropyl]-11,24,27-trioxo-2,23-dioxa-4,12,25,28-tetraazapentacyclo[26.2.1.0~3,12~.0~5,10 ~.0~18,22~]hentriaconta-3,5,7,9-tetraene-29-carboxamide | C42H56N6O10S

(1R,18R,22R,26S,29S)-26-Cyclopentyl-7-methoxy-N-[(1R,2S)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-2-vinylcyclopropyl]-11,24,27-trioxo-2,23-dioxa-4,12,25,28-tetraazapentacyclo[26.2.1.03,12.05,10 .018,22]hentriaconta-3,5,7,9-tetraene-29-carboxamide

  • Molecular FormulaC42H56N6O10S
  • Average mass836.993 Da
  • Monoisotopic mass836.377869 Da
  • ChemSpider ID64854210

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,18R,22R,26S,29S)-26-Cyclopentyl-7-methoxy-N-[(1R,2S)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-2-vinylcyclopropyl]-11,24,27-trioxo-2,23-dioxa-4,12,25,28-tetraazapentacyclo[26.2.1.03,12.05,10 .018,22]hentriaconta-3,5,7,9-tetraen-29-carboxamid [German] [ACD/IUPAC Name]
(1R,18R,22R,26S,29S)-26-Cyclopentyl-7-methoxy-N-[(1R,2S)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-2-vinylcyclopropyl]-11,24,27-trioxo-2,23-dioxa-4,12,25,28-tetraazapentacyclo[26.2.1.03,12.05,10 .018,22]hentriaconta-3,5,7,9-tetraene-29-carboxamide [ACD/IUPAC Name]
(1R,18R,22R,26S,29S)-26-Cyclopentyl-7-méthoxy-N-[(1R,2S)-1-{[(1-méthylcyclopropyl)sulfonyl]carbamoyl}-2-vinylcyclopropyl]-11,24,27-trioxo-2,23-dioxa-4,12,25,28-tétraazapentacyclo[26.2.1.03,12.05,10 .018,22]héntriaconta-3,5,7,9-tétraène-29-carboxamide [French] [ACD/IUPAC Name]
10H-9,12-Methano-19H-cyclopenta[18,19][1,10,3,6,12]dioxatriazacyclononadecino[11,12-b]quinazoline-10-carboxamide, 7-cyclopentyl-N-[(1R,2S)-2-ethenyl-1-[[[(1-methylcyclopropyl)sulfonyl]amino]carbonyl]c yclopropyl]-1,2,3,3a,5,6,7,8,11,12,21,22,23,24,25,25a-hexadecahydro-16-methoxy-5,8,19-trioxo-, (3aR,7S,10S,12R,25aR)- [ACD/Index Name]
1193902-95-2 [RN]
MK-2748

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

7YM030A71C [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.704
Molar Refractivity: 214.5±0.5 cm3
#H bond acceptors: 16
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 22.18
ACD/KOC (pH 5.5): 176.95
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 2.07
ACD/KOC (pH 7.4): 16.52
Polar Surface Area: 210 Å2
Polarizability: 85.1±0.5 10-24cm3
Surface Tension: 63.2±7.0 dyne/cm
Molar Volume: 552.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement