ChemSpider 2D Image | (1R,11S,12S,13R,21R,22S,23S,24S)-23-(Dimethylamino)-11,15,22-trihydroxy-12-methoxy-1,11-dimethyl-6,17-dioxo-24-{[2,3,6-trideoxy-4-O-(6-deoxy-3-C-methyl-2-O-methyl-alpha-L-mannopyranosyl)-3-methyl-3-ni
tro-beta-D-ribo-hexopyranosyl]oxy}-20,25-dioxahexacyclo[19.3.1.0~2,19~.0~5,18~.0~7,16~.0~9,14~]pentacosa-3,7(16),9(14),18-tetraen-13-yl 6-deoxy-3-C-methyl-2-O-methyl-alpha-L-mannopyranoside | C51H74N2O22

(1R,11S,12S,13R,21R,22S,23S,24S)-23-(Dimethylamino)-11,15,22-trihydroxy-12-methoxy-1,11-dimethyl-6,17-dioxo-24-{[2,3,6-trideoxy-4-O-(6-deoxy-3-C-methyl-2-O-methyl-α-L-mannopyranosyl)-3-methyl-3-ni tro-β-D-ribo-hexopyranosyl]oxy}-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-3,7(16),9(14),18-tetraen-13-yl 6-deoxy-3-C-methyl-2-O-methyl-α-L-mannopyranoside

  • Molecular FormulaC51H74N2O22
  • Average mass1067.134 Da
  • Monoisotopic mass1066.473267 Da
  • ChemSpider ID4451303
  • defined stereocentres - 22 of 25 defined stereocentres


More details:






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

(1R,11S,12S,13R,21R,22S,23S,24S)-23-(Dimethylamino)-11,15,22-trihydroxy-12-methoxy-1,11-dimethyl-6,17-dioxo-24-{[2,3,6-trideoxy-4-O-(6-deoxy-3-C-methyl-2-O-methyl-α-L-mannopyranosyl)-3-methyl-3-ni tro-β-D-ribo-hexopyranosyl]oxy}-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-3,7(16),9(14),18-tetraen-13-yl 6-deoxy-3-C-methyl-2-O-methyl-α-L-mannopyranoside [ACD/IUPAC Name]
(1R,11S,12S,13R,21R,22S,23S,24S)-23-(Dimethylamino)-11,15,22-trihydroxy-12-methoxy-1,11-dimethyl-6,17-dioxo-24-{[2,3,6-tridesoxy-4-O-(6-desoxy-3-C-methyl-2-O-methyl-α-L-mannopyranosyl)-3-methyl-3- nitro-β-D-ribo-hexopyranosyl]oxy}-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-3,7(16),9(14),18-tetraen-13-yl-6-desoxy-3-C-methyl-2-O-methyl-α-L-mannopyranosid [German] [ACD/IUPAC Name]
2,6-Epoxy-2H-naphthaceno[1,2-b]oxocin-9,16-dione, 14-[(6-deoxy-3-C-methyl-2-O-methyl-α-L-mannopyranosyl)oxy]-4-(dimethylamino)-3,4,5,6,6a,8a,10,11,12,13,14,15-dodecahydro-3,12,15-trihydroxy-13-met hoxy-6,12-dimethyl-5-[[2,3,6-trideoxy-4-O-(6-deoxy-3-C-methyl-2-O-methyl-α-L-mannopyranosyl)-3-methyl-3-nitro-β-D-ribo-hexopyranosyl]oxy]-, (2R,3S,4S,5S,6R,12S,13S,14R)- [ACD/Index Name]
6-Désoxy-3-C-méthyl-2-O-méthyl-α-L-mannopyranoside de (1R,11S,12S,13R,21R,22S,23S,24S)-23-(diméthylamino)-11,15,22-trihydroxy-12-méthoxy-1,11-diméthyl-6,17-dioxo-24-{[2,3,6-tridésoxy-4-O-(6-désoxy -3-C-méthyl-2-O-méthyl-α-L-mannopyranosyl)-3-méthyl-3-nitro-β-D-ribo-hexopyranosyl]oxy}-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-3,7(16),9(14),18-tétraén-13-yle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.626
Molar Refractivity: 257.7±0.4 cm3
#H bond acceptors: 24
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 15.61
ACD/KOC (pH 5.5): 84.49
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 444.54
ACD/KOC (pH 7.4): 2406.05
Polar Surface Area: 326 Å2
Polarizability: 102.2±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 728.4±5.0 cm3

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