ChemSpider 2D Image | (1S,2S,3S,11R,14S)-2-Hydroxy-3-[(1S,2S,3R,11S,14S)-2-hydroxy-14-(hydroxymethyl)-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-isopropyl-19-methyl-15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.0~1,12~.0~3,11~.0~4,9~]nonadeca-4,6,8-triene-13,18-dione | C32H32N6O7S6

(1S,2S,3S,11R,14S)-2-Hydroxy-3-[(1S,2S,3R,11S,14S)-2-hydroxy-14-(hydroxymethyl)-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-isopropyl-19-methyl-15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.01,12.03,11.04,9]nonadeca-4,6,8-triene-13,18-dione

  • Molecular FormulaC32H32N6O7S6
  • Average mass805.023 Da
  • Monoisotopic mass804.065674 Da
  • ChemSpider ID8277424
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(1S,2S,3S,11R,14S)-2-Hydroxy-3-[(1S,2S,3R,11S,14S)-2-hydroxy-14-(hydroxymethyl)-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-isopropyl-19-methyl-15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.01,12.03,11.04,9]nonadeca-4,6,8-trien-13,18-dion [German] [ACD/IUPAC Name]
(1S,2S,3S,11R,14S)-2-Hydroxy-3-[(1S,2S,3R,11S,14S)-2-hydroxy-14-(hydroxymethyl)-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-isopropyl-19-methyl-15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.01,12.03,11.04,9]nonadeca-4,6,8-triene-13,18-dione [ACD/IUPAC Name]
(1S,2S,3S,11R,14S)-2-Hydroxy-3-[(1S,2S,3R,11S,14S)-2-hydroxy-14-(hydroxyméthyl)-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-isopropyl-19-méthyl-15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.01,12.03,11.04,9]nonadéca-4,6,8-triène-13,18-dione [French] [ACD/IUPAC Name]
4,12a-(Iminomethano)-12aH-[1,2,3,5]trithiazepino[5',4':1,5]pyrrolo[2,3-b]indole-5,13(4H)-dione, 6a,7,11b,12-tetrahydro-12-hydroxy-4-(hydroxymethyl)-14-methyl-11b-[(4S,6aR,11bS,12S,12aS)-4,5,6a,7-tetra hydro-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]-, (4S,6aS,11bR,12S,12aS)- [ACD/Index Name]
leptosin G1

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: 1.924
Molar Refractivity: 203.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 155.96
ACD/KOC (pH 5.5): 1291.42
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 155.97
ACD/KOC (pH 7.4): 1291.52
Polar Surface Area: 318 Å2
Polarizability: 80.7±0.5 10-24cm3
Surface Tension: 131.2±5.0 dyne/cm
Molar Volume: 429.9±5.0 cm3

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