ChemSpider 2D Image | (1'R,21'S,24'S)-N-{(1R,2R)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-21'-(2-methyl-2-propanyl)-3',19',22'-trioxo-2',18'-dioxa-4',20',23'-triazaspiro[cyclopropane-1,16'-tetracyclo[21.2.1.1 ~4,7~.0~6,11~]heptacosane]-6',8',10'-triene-24'-carboxamide | C38H53N5O9S

(1'R,21'S,24'S)-N-{(1R,2R)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-21'-(2-methyl-2-propanyl)-3',19',22'-trioxo-2',18'-dioxa-4',20',23'-triazaspiro[cyclopropane-1,16'-tetracyclo[21.2.1.1 4,7.06,11]heptacosane]-6',8',10'-triene-24'-carboxamide

  • Molecular FormulaC38H53N5O9S
  • Average mass755.920 Da
  • Monoisotopic mass755.356384 Da
  • ChemSpider ID34544944

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1'R,21'S,24'S)-N-{(1R,2R)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-21'-(2-methyl-2-propanyl)-3',19',22'-trioxo-2',18'-dioxa-4',20',23'-triazaspiro[cyclopropane-1,16'-tetracyclo[21.2.1.1 ;4,7.06,11]heptacosane]-6',8',10'-triene-24'-carboxamide [ACD/IUPAC 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: 1.625
Molar Refractivity: 194.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 29.99
ACD/KOC (pH 5.5): 226.34
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 2.57
ACD/KOC (pH 7.4): 19.38
Polar Surface Area: 189 Å2
Polarizability: 77.0±0.5 10-24cm3
Surface Tension: 66.4±5.0 dyne/cm
Molar Volume: 549.2±5.0 cm3

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