ChemSpider 2D Image | (1R,18R,20R,24S,27S)-N-[(1R,2S)-1-{[(2,2,3,3-~2~H_4_)Cyclopropylsulfonyl]carbamoyl}-2-vinylcyclopropyl]-7-methoxy-24-(2-methyl-2-propanyl)-22,25-dioxo-2,21-dioxa-4,11,23,26-tetraazapentacyclo[24.2.1.0 ~3,12~.0~5,10~.0~18,20~]nonacosa-3(12),4,6,8,10-pentaene-27-carboxamide | C38H46D4N6O9S

(1R,18R,20R,24S,27S)-N-[(1R,2S)-1-{[(2,2,3,3-2H4)Cyclopropylsulfonyl]carbamoyl}-2-vinylcyclopropyl]-7-methoxy-24-(2-methyl-2-propanyl)-22,25-dioxo-2,21-dioxa-4,11,23,26-tetraazapentacyclo[24.2.1.0 3,12.05,10.018,20]nonacosa-3(12),4,6,8,10-pentaene-27-carboxamide

  • Molecular FormulaC38H46D4N6O9S
  • Average mass770.928 Da
  • Monoisotopic mass770.361084 Da
  • ChemSpider ID107451351

  • defined stereocentres - 7 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,18R,20R,24S,27S)-N-[(1R,2S)-1-{[(2,2,3,3-2H4)Cyclopropylsulfonyl]carbamoyl}-2-vinylcyclopropyl]-7-methoxy-24-(2-methyl-2-propanyl)-22,25-dioxo-2,21-dioxa-4,11,23,26-tetraazapentacyclo[24.2.1.0 ; 3,12.05,10.018,20]nonacosa-3(12),4,6,8,10-pentaen-27-carboxamid [German] [ACD/IUPAC Name]
(1R,18R,20R,24S,27S)-N-[(1R,2S)-1-{[(2,2,3,3-2H4)Cyclopropylsulfonyl]carbamoyl}-2-vinylcyclopropyl]-7-methoxy-24-(2-methyl-2-propanyl)-22,25-dioxo-2,21-dioxa-4,11,23,26-tetraazapentacyclo[24.2.1.0 ; 3,12.05,10.018,20]nonacosa-3(12),4,6,8,10-pentaene-27-carboxamide [ACD/IUPAC Name]
(1R,18R,20R,24S,27S)-N-[(1R,2S)-1-{[(2,2,3,3-2H4)Cyclopropylsulfonyl]carbamoyl}-2-vinylcyclopropyl]-7-méthoxy-24-(2-méthyl-2-propanyl)-22,25-dioxo-2,21-dioxa-4,11,23,26-tétraazapentacyclo[24.2.1.0 ; 3,12.05,10.018,20]nonacosa-3(12),4,6,8,10-pentaène-27-carboxamide [French] [ACD/IUPAC Name]
8H-7,10-Methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide, N-[(1R,2S)-1-[[(cyclopropyl-2,2,3,3-d4-sulfonyl)amino]carbonyl]-2-ethenylcyclopropyl]-5-(1,1-di methylethyl)-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-14-methoxy-3,6-dioxo-, (1aR,5S,8S,10R,22aR)- [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: 1.633
Molar Refractivity: 197.6±0.4 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 33.92
ACD/KOC (pH 5.5): 223.10
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 3.93
ACD/KOC (pH 7.4): 25.84
Polar Surface Area: 204 Å2
Polarizability: 78.3±0.5 10-24cm3
Surface Tension: 68.4±5.0 dyne/cm
Molar Volume: 553.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement