ChemSpider 2D Image | (1S,3aS)-7-Hydroxy-1-[(1S)-1-hydroxyethyl]-5-methyl-2,8,13-trioxo-1,2,8,13-tetrahydro-3aH-benzo[b][1,3]oxazolo[3,2-f]phenanthridin-12-yl 2,6-dideoxy-alpha-L-ribo-hexopyranoside | C28H27NO10

(1S,3aS)-7-Hydroxy-1-[(1S)-1-hydroxyethyl]-5-methyl-2,8,13-trioxo-1,2,8,13-tetrahydro-3aH-benzo[b][1,3]oxazolo[3,2-f]phenanthridin-12-yl 2,6-dideoxy-α-L-ribo-hexopyranoside

  • Molecular FormulaC28H27NO10
  • Average mass537.515 Da
  • Monoisotopic mass537.163513 Da
  • ChemSpider ID26376515
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(1S,3aS)-7-Hydroxy-1-[(1S)-1-hydroxyethyl]-5-methyl-2,8,13-trioxo-1,2,8,13-tetrahydro-3aH-benzo[b][1,3]oxazolo[3,2-f]phenanthridin-12-yl 2,6-dideoxy-α-L-ribo-hexopyranoside [ACD/IUPAC Name]
(1S,3aS)-7-Hydroxy-1-[(1S)-1-hydroxyethyl]-5-methyl-2,8,13-trioxo-1,2,8,13-tetrahydro-3aH-benzo[b][1,3]oxazolo[3,2-f]phenanthridin-12-yl-2,6-didesoxy-α-L-ribo-hexopyranosid [German] [ACD/IUPAC Name]
2,6-Didésoxy-α-L-ribo-hexopyranoside de (1S,3aS)-7-hydroxy-1-[(1S)-1-hydroxyéthyl]-5-méthyl-2,8,13-trioxo-1,2,8,13-tétrahydro-3aH-benzo[b][1,3]oxazolo[3,2-f]phénanthridin-12-yle [French] [ACD/IUPAC Name]
8H-Benz[b]oxazolo[3,2-f]phenanthridine-2,8,13(1H,3aH)-trione, 12-[(2,6-dideoxy-α-L-ribo-hexopyranosyl)oxy]-7-hydroxy-1-[(1S)-1-hydroxyethyl]-5-methyl-, (1S,3aS)- [ACD/Index Name]
E'Jadomycin T'

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

Density: 1.6±0.1 g/cm3
Boiling Point: 888.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.2±3.0 kJ/mol
Flash Point: 490.8±34.3 °C
Index of Refraction: 1.722
Molar Refractivity: 132.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 14.02
ACD/KOC (pH 5.5): 230.05
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 10.19
ACD/KOC (pH 7.4): 167.22
Polar Surface Area: 163 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 89.6±5.0 dyne/cm
Molar Volume: 334.3±5.0 cm3

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