ChemSpider 2D Image | 1-((Acetyloxy)methyl)-3a,4-dihydro-16-hydroxy-11,12-dimethoxy-1,3a-dimethyl-(1)benzopyrano(2',3':6,7)naphth(2,1-g)oxazolo(3,2-b)isoquinoline-2,8,14,15,17(1H)-pentone | C33H25NO12

1-((Acetyloxy)methyl)-3a,4-dihydro-16-hydroxy-11,12-dimethoxy-1,3a-dimethyl-(1)benzopyrano(2',3':6,7)naphth(2,1-g)oxazolo(3,2-b)isoquinoline-2,8,14,15,17(1H)-pentone

  • Molecular FormulaC33H25NO12
  • Average mass627.551 Da
  • Monoisotopic mass627.137695 Da
  • ChemSpider ID115874

More details:

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

(1)Benzopyrano(2',3':6,7)naphth(2,1-g)oxazolo(3,2-b)isoquinoline-2,8,14,15,17(1H)-pentone, 1-((acetyloxy)methyl)-3a,4-dihydro-16-hydroxy-11,12-dimethoxy-1,3a-dimethyl-
(16-Hydroxy-11,12-dimethoxy-1,3a-dimethyl-2,8,14,15,17-pentaoxo-1,2,3a,4,8,14,15,17-octahydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isochinolin-1-yl)methyl-acetat [German] [ACD/IUPAC Name]
(16-Hydroxy-11,12-dimethoxy-1,3a-dimethyl-2,8,14,15,17-pentaoxo-1,2,3a,4,8,14,15,17-octahydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isoquinolin-1-yl)methyl acetate [ACD/IUPAC Name]
[1]Benzopyrano[2',3':6,7]naphth[2,1-g]oxazolo[3,2-b]isoquinoline-2,8,14,15,17(1H)-pentone, 1-[(acetyloxy)methyl]-3a,4-dihydro-16-hydroxy-11,12-dimethoxy-1,3a-dimethyl- [ACD/Index Name]
1-((Acetyloxy)methyl)-3a,4-dihydro-16-hydroxy-11,12-dimethoxy-1,3a-dimethyl-(1)benzopyrano(2',3':6,7)naphth(2,1-g)oxazolo(3,2-b)isoquinoline-2,8,14,15,17(1H)-pentone
Acétate de (16-hydroxy-11,12-diméthoxy-1,3a-diméthyl-2,8,14,15,17-pentaoxo-1,2,3a,4,8,14,15,17-octahydrochroméno[2',3':6,7]naphto[2,1-g][1,3]oxazolo[3,2-b]isoquinoléin-1-yl)méthyle [French] [ACD/IUPAC Name]
128999-31-5 [RN]
Citreamicin γ
LL E19085 γ
LL-E19085γ

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

Density: 1.6±0.1 g/cm3
Boiling Point: 883.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.7±3.0 kJ/mol
Flash Point: 487.9±34.3 °C
Index of Refraction: 1.721
Molar Refractivity: 153.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 31.16
ACD/KOC (pH 5.5): 384.79
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 2.02
ACD/KOC (pH 7.4): 24.88
Polar Surface Area: 172 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 85.3±5.0 dyne/cm
Molar Volume: 388.8±5.0 cm3

Click to predict properties on the Chemicalize site


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