ChemSpider 2D Image | (1R,3S,5S,8R,9S,13S)-8-Hydroxy-14-(2-hydroxy-3,4-dimethoxyphenyl)-4,10-dioxa-15,16-dithia-11,18-diazapentacyclo[11.3.2.0~1,11~.0~3,5~.0~3,9~]octadec-6-ene-12,17-dione | C20H20N2O8S2

(1R,3S,5S,8R,9S,13S)-8-Hydroxy-14-(2-hydroxy-3,4-dimethoxyphenyl)-4,10-dioxa-15,16-dithia-11,18-diazapentacyclo[11.3.2.01,11.03,5.03,9]octadec-6-ene-12,17-dione

  • Molecular FormulaC20H20N2O8S2
  • Average mass480.511 Da
  • Monoisotopic mass480.066101 Da
  • ChemSpider ID78438200

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(1R,3S,5S,8R,9S,13S)-8-Hydroxy-14-(2-hydroxy-3,4-dimethoxyphenyl)-4,10-dioxa-15,16-dithia-11,18-diazapentacyclo[11.3.2.01,11.03,5.03,9]octadec-6-en-12,17-dion [German] [ACD/IUPAC Name]
(1R,3S,5S,8R,9S,13S)-8-Hydroxy-14-(2-hydroxy-3,4-dimethoxyphenyl)-4,10-dioxa-15,16-dithia-11,18-diazapentacyclo[11.3.2.01,11.03,5.03,9]octadec-6-ene-12,17-dione [ACD/IUPAC Name]
(1R,3S,5S,8R,9S,13S)-8-Hydroxy-14-(2-hydroxy-3,4-diméthoxyphényl)-4,10-dioxa-15,16-dithia-11,18-diazapentacyclo[11.3.2.01,11.03,5.03,9]octadéc-6-ène-12,17-dione [French] [ACD/IUPAC Name]
12H-8,11a-(Iminomethano)-1aH,7H-[1,2,4]dithiazepino[4,3-b]oxireno[e][1,2]benzoxazine-7,13-dione, 4,4a,8,9-tetrahydro-4-hydroxy-9-(2-hydroxy-3,4-dimethoxyphenyl)-, (1aS,4R,4aS,8S,11aR,12aS)- [ACD/Index Name]
Gliovirin

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.775
Molar Refractivity: 115.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.02
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.76
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.09
Polar Surface Area: 181 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 98.3±5.0 dyne/cm
Molar Volume: 275.4±5.0 cm3

Click to predict properties on the Chemicalize site


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