ChemSpider 2D Image | (1R,13E,24S,27S)-24-Cyclopentyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-7-methoxy-22,25-dioxo-2,18-dioxa-4,21,23,26-tetraazapentacyclo[24.2.1.1~19,21~.0~3,12~.0~5,10~]triacon ta-3,5(10),6,8,11,13-hexaene-27-carboxamide | C40H50N6O9S

(1R,13E,24S,27S)-24-Cyclopentyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-7-methoxy-22,25-dioxo-2,18-dioxa-4,21,23,26-tetraazapentacyclo[24.2.1.119,21.03,12.05,10]triacon ta-3,5(10),6,8,11,13-hexaene-27-carboxamide

  • Molecular FormulaC40H50N6O9S
  • Average mass790.925 Da
  • Monoisotopic mass790.335999 Da
  • ChemSpider ID28649864

  • 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

(1R,13E,24S,27S)-24-Cyclopentyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-7-methoxy-22,25-dioxo-2,18-dioxa-4,21,23,26-tetraazapentacyclo[24.2.1.119,21.03,12.05,10]triacon ta-3,5(10),6,8,11,13-hexaen-27-carboxamid [German] [ACD/IUPAC Name]
(1R,13E,24S,27S)-24-Cyclopentyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-7-methoxy-22,25-dioxo-2,18-dioxa-4,21,23,26-tetraazapentacyclo[24.2.1.119,21.03,12.05,10]triacon ta-3,5(10),6,8,11,13-hexaene-27-carboxamide [ACD/IUPAC Name]
(1R,13E,24S,27S)-24-Cyclopentyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-7-méthoxy-22,25-dioxo-2,18-dioxa-4,21,23,26-tétraazapentacyclo[24.2.1.119,21.03,12.05,10]triacon ta-3,5(10),6,8,11,13-hexaène-27-carboxamide [French] [ACD/IUPAC Name]
2,5:10,12-Dimethano-2H,14H-[1,13,4,6,9]dioxatriazacycloeicosino[14,15-b]quinoline-4-carboxamide, 7-cyclopentyl-N-[(1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethenylcyclopropyl]-3,4,6,7,8,9,11, 12,15,16-decahydro-22-methoxy-6,9-dioxo-, (2R,4S,7S,17E)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.663
Molar Refractivity: 206.2±0.4 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 3.28
ACD/KOC (pH 5.5): 41.97
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.84
Polar Surface Area: 194 Å2
Polarizability: 81.7±0.5 10-24cm3
Surface Tension: 72.4±5.0 dyne/cm
Molar Volume: 556.5±5.0 cm3

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