ChemSpider 2D Image | (2S,3R,11S,14R)-2-Hydroxy-3-[(2S,3S,11R,14R)-2-hydroxy-14-isopropyl-19-methyl-13,18-dioxo-15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.0~1,12~.0~3,11~.0~4,9~]nonadeca-4,6,8-trien-3-yl]-14-(hydrox ymethyl)-20-methyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.0~1,12~.0~3,11~.0~4,9~]icosa-4,6,8-triene-13,19-dione | C32H32N6O7S7

(2S,3R,11S,14R)-2-Hydroxy-3-[(2S,3S,11R,14R)-2-hydroxy-14-isopropyl-19-methyl-13,18-dioxo-15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.01,12.03,11.04,9]nonadeca-4,6,8-trien-3-yl]-14-(hydrox ymethyl)-20-methyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.01,12.03,11.04,9]icosa-4,6,8-triene-13,19-dione

  • Molecular FormulaC32H32N6O7S7
  • Average mass837.088 Da
  • Monoisotopic mass836.037720 Da
  • ChemSpider ID8231886

  • defined stereocentres - 7 of 10 defined stereocentres

More details:

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

(2S,3R,11S,14R)-2-Hydroxy-3-[(2S,3S,11R,14R)-2-hydroxy-14-isopropyl-19-methyl-13,18-dioxo-15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.01,12.03,11.04,9]nonadeca-4,6,8-trien-3-yl]-14-(hydrox ymethyl)-20-methyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.01,12.03,11.04,9]icosa-4,6,8-trien-13,19-dion [German] [ACD/IUPAC Name]
(2S,3R,11S,14R)-2-Hydroxy-3-[(2S,3S,11R,14R)-2-hydroxy-14-isopropyl-19-methyl-13,18-dioxo-15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.01,12.03,11.04,9]nonadeca-4,6,8-trien-3-yl]-14-(hydrox ymethyl)-20-methyl-15,16,17,18-tetrathia-10,12,20-triazapentacyclo[12.4.2.01,12.03,11.04,9]icosa-4,6,8-triene-13,19-dione [ACD/IUPAC Name]
(2S,3R,11S,14R)-2-Hydroxy-3-[(2S,3S,11R,14R)-2-hydroxy-14-isopropyl-19-méthyl-13,18-dioxo-15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.01,12.03,11.04,9]nonadéca-4,6,8-trién-3-yl]-14-(hydrox yméthyl)-20-méthyl-15,16,17,18-tétrathia-10,12,20-triazapentacyclo[12.4.2.01,12.03,11.04,9]icosa-4,6,8-triène-13,19-dione [French] [ACD/IUPAC Name]
5,13a-(Iminomethano)-13aH-[1,2,3,4,6]tetrathiazocino[6',5':1,5]pyrrolo[2,3-b]indole-6,14(5H)-dione, 7a,8,12b,13-tetrahydro-13-hydroxy-5-(hydroxymethyl)-15-methyl-12b-[(4R,6aR,11bS,12S)-4,5,6a,7-tetrah ydro-12-hydroxy-14-methyl-4-(1-methylethyl)-5,13-dioxo-4,12a-(iminomethano)-12aH-[1,2,3,5]trithiazepino[5',4':1,5]pyrrolo[2,3-b]indol-11b(12H)-yl]-, (5R,7aS,12bR,13S)- [ACD/Index 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: 1.934
Molar Refractivity: 211.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 640.69
ACD/KOC (pH 5.5): 3550.68
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 640.74
ACD/KOC (pH 7.4): 3550.91
Polar Surface Area: 343 Å2
Polarizability: 83.9±0.5 10-24cm3
Surface Tension: 133.4±5.0 dyne/cm
Molar Volume: 443.5±5.0 cm3

Click to predict properties on the Chemicalize site


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