ChemSpider 2D Image | 11,11'-dideoxyverticillin A | C30H28N6O4S4

11,11'-dideoxyverticillin A

  • Molecular FormulaC30H28N6O4S4
  • Average mass664.841 Da
  • Monoisotopic mass664.105469 Da
  • ChemSpider ID10477789
  • defined stereocentres - 7 of 8 defined stereocentres


More details:






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

(1S,1'S,3R,3'S,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'S,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'S,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]
11,11'-dideoxyverticillin A
3,11a-(Iminomethano)-11aH-[1,2,4]dithiazino[4',3':1,5]pyrrolo[2,3-b]indole-4,12(3H)-dione, 5a,6,10b,11-tetrahydro-3,13-dimethyl-10b-[(5aR,10bR,11aS)-3,4,5a,6-tetrahydro-3,13-dimethyl-4,12-dioxo-3,11a- (iminomethano)-11aH-[1,2,4]dithiazino[4',3':1,5]pyrrolo[2,3-b]indol-10b(11H)-yl]-, (5aR,10bS,11aS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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

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