ChemSpider 2D Image | 13,16-Dihydroxy-1-(hydroxymethyl)-12-methoxy-1,3a-dimethyl-3a,4-dihydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isoquinoline-2,8,14,15,17(1H)-pentone | C30H21NO11

13,16-Dihydroxy-1-(hydroxymethyl)-12-methoxy-1,3a-dimethyl-3a,4-dihydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isoquinoline-2,8,14,15,17(1H)-pentone

  • Molecular FormulaC30H21NO11
  • Average mass571.488 Da
  • Monoisotopic mass571.111450 Da
  • ChemSpider ID24686777

More details:

Featured data source
Natural Product Updates

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, 3a,4-dihydro-13,16-dihydroxy-1-(hydroxymethyl)-12-methoxy-1,3a-dimethyl- [ACD/Index Name]
13,16-Dihydroxy-1-(hydroxymethyl)-12-methoxy-1,3a-dimethyl-3a,4-dihydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isochinolin-2,8,14,15,17(1H)-penton [German] [ACD/IUPAC Name]
13,16-Dihydroxy-1-(hydroxymethyl)-12-methoxy-1,3a-dimethyl-3a,4-dihydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isoquinoline-2,8,14,15,17(1H)-pentone [ACD/IUPAC Name]
13,16-Dihydroxy-1-(hydroxyméthyl)-12-méthoxy-1,3a-diméthyl-3a,4-dihydrochroméno[2',3':6,7]naphto[2,1-g][1,3]oxazolo[3,2-b]isoquinoléine-2,8,14,15,17(1H)-pentone [French] [ACD/IUPAC Name]
citreamicin d
Citreamicin δ
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL447712/

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

Density: 1.8±0.1 g/cm3
Boiling Point: 915.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.5±3.0 kJ/mol
Flash Point: 507.5±34.3 °C
Index of Refraction: 1.798
Molar Refractivity: 139.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 0.57
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 6.55
ACD/KOC (pH 5.5): 117.77
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 106.8±5.0 dyne/cm
Molar Volume: 326.6±5.0 cm3

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