ChemSpider 2D Image | (1S,1'S,2S,2'S,11R,11'R,14R,14'R)-14-Acetyl-2,2'-dihydroxy-14'-[(1R)-1-hydroxyethyl]-18,18'-dimethyl-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 | C32H30N6O8S4

(1S,1'S,2S,2'S,11R,11'R,14R,14'R)-14-Acetyl-2,2'-dihydroxy-14'-[(1R)-1-hydroxyethyl]-18,18'-dimethyl-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 FormulaC32H30N6O8S4
  • Average mass754.876 Da
  • Monoisotopic mass754.100769 Da
  • ChemSpider ID8660644

  • defined stereocentres - 8 of 11 defined stereocentres

More details:

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

(1S,1'S,2S,2'S,11R,11'R,14R,14'R)-14-Acetyl-2,2'-dihydroxy-14'-[(1R)-1-hydroxyethyl]-18,18'-dimethyl-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,2S,2'S,11R,11'R,14R,14'R)-14-Acetyl-2,2'-dihydroxy-14'-[(1R)-1-hydroxyethyl]-18,18'-dimethyl-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,2S,2'S,11R,11'R,14R,14'R)-14-Acétyl-2,2'-dihydroxy-14'-[(1R)-1-hydroxyéthyl]-18,18'-diméthyl-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]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.914
Molar Refractivity: 187.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 4
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 950.47
ACD/KOC (pH 5.5): 4708.91
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 950.51
ACD/KOC (pH 7.4): 4709.12
Polar Surface Area: 284 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 132.7±5.0 dyne/cm
Molar Volume: 399.3±5.0 cm3

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