ChemSpider 2D Image | (27S,28R)-7,20,28-Trimethoxy-9,18-dioxa-1,12,13,14,26-pentaazapentacyclo[25.3.1.1~11,14~.0~3,8~.0~19,24~]dotriaconta-3,5,7,11(32),12,19,21,23-octaene-2,25-dione | C28H33N5O7

(27S,28R)-7,20,28-Trimethoxy-9,18-dioxa-1,12,13,14,26-pentaazapentacyclo[25.3.1.111,14.03,8.019,24]dotriaconta-3,5,7,11(32),12,19,21,23-octaene-2,25-dione

  • Molecular FormulaC28H33N5O7
  • Average mass551.591 Da
  • Monoisotopic mass551.237976 Da
  • ChemSpider ID71351409

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(27S,28R)-7,20,28-Trimethoxy-9,18-dioxa-1,12,13,14,26-pentaazapentacyclo[25.3.1.111,14.03,8.019,24]dotriaconta-3,5,7,11(32),12,19,21,23-octaen-2,25-dion [German] [ACD/IUPAC Name]
(27S,28R)-7,20,28-Trimethoxy-9,18-dioxa-1,12,13,14,26-pentaazapentacyclo[25.3.1.111,14.03,8.019,24]dotriaconta-3,5,7,11(32),12,19,21,23-octaene-2,25-dione [ACD/IUPAC Name]
(27S,28R)-7,20,28-Triméthoxy-9,18-dioxa-1,12,13,14,26-pentaazapentacyclo[25.3.1.111,14.03,8.019,24]dotriaconta-3,5,7,11(32),12,19,21,23-octaène-2,25-dione [French] [ACD/IUPAC Name]
6H,11H,26H-21,25-Methano-10,7-methenodibenzo[k,u][1,10,4,5,6,14,19]dioxapentaazacyclodocosine-19,26(20H)-dione, 12,13,21,22,23,24-hexahydro-4,15,22-trimethoxy-, (21S,22R)- [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: 1.639
Molar Refractivity: 144.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.92
ACD/KOC (pH 5.5): 139.00
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 6.92
ACD/KOC (pH 7.4): 139.00
Polar Surface Area: 126 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 400.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement