ChemSpider 2D Image | (1S,1'S,3R,3'R,11R,11'R)-14,14',18,18'-Tetramethyl-3,3'-bi(15,16-dithia-10,12,18-triazapentacyclo[12.2.2.0~1,12~.0~3,11~.0~4,9~]octadecane)-4,4',6,6',8,8'-hexaene-13,13',17,17'-tetrone | C30H28N6O4S4

(1S,1'S,3R,3'R,11R,11'R)-14,14',18,18'-Tetramethyl-3,3'-bi(15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadecane)-4,4',6,6',8,8'-hexaene-13,13',17,17'-tetrone

  • Molecular FormulaC30H28N6O4S4
  • Average mass664.841 Da
  • Monoisotopic mass664.105469 Da
  • ChemSpider ID58816615

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(1S,1'S,3R,3'R,11R,11'R)-14,14',18,18'-Tetramethyl-3,3'-bi(15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadecan)-4,4',6,6',8,8'-hexaen-13,13',17,17'-tetron [German] [ACD/IUPAC Name]
(1S,1'S,3R,3'R,11R,11'R)-14,14',18,18'-Tetramethyl-3,3'-bi(15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadecane)-4,4',6,6',8,8'-hexaene-13,13',17,17'-tetrone [ACD/IUPAC Name]
(1S,1'S,3R,3'R,11R,11'R)-14,14',18,18'-Tétraméthyl-3,3'-bi(15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadécane)-4,4',6,6',8,8'-hexaène-13,13',17,17'-tétrone [French] [ACD/IUPAC Name]
12795-76-5 [RN]
VERTICILLIN (9CI)

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.888
Molar Refractivity: 173.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 433.99
ACD/KOC (pH 5.5): 2688.11
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 434.22
ACD/KOC (pH 7.4): 2689.51
Polar Surface Area: 207 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 111.2±5.0 dyne/cm
Molar Volume: 377.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement