ChemSpider 2D Image | (1S,3aS)-7-Hydroxy-1-(hydroxymethyl)-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 | C27H25NO10

(1S,3aS)-7-Hydroxy-1-(hydroxymethyl)-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 FormulaC27H25NO10
  • Average mass523.488 Da
  • Monoisotopic mass523.147827 Da
  • ChemSpider ID9435996

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,3aS)-7-Hydroxy-1-(hydroxymethyl)-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-(hydroxymethyl)-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-(hydroxyméthyl)-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-(hydroxymethyl)-5-methyl-, (1S,3aS)- [ACD/Index Name]
E'Jadomycin S'
jadomycin S

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

Density: 1.6±0.1 g/cm3
Boiling Point: 896.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.5±3.0 kJ/mol
Flash Point: 495.9±34.3 °C
Index of Refraction: 1.737
Molar Refractivity: 127.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 10.44
ACD/KOC (pH 5.5): 186.33
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 7.52
ACD/KOC (pH 7.4): 134.13
Polar Surface Area: 163 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 94.6±5.0 dyne/cm
Molar Volume: 317.6±5.0 cm3

Click to predict properties on the Chemicalize site


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