ChemSpider 2D Image | N-(7-{[(2S,3R,4S,5R)-3,4-Dihydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-2-hydroxy-8-methyl-4-oxo-4H-chromen-3-yl)-4-hydroxy-3-(3-methyl-2-buten-1-yl)benzamide | C30H35NO10

N-(7-{[(2S,3R,4S,5R)-3,4-Dihydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-2-hydroxy-8-methyl-4-oxo-4H-chromen-3-yl)-4-hydroxy-3-(3-methyl-2-buten-1-yl)benzamide

  • Molecular FormulaC30H35NO10
  • Average mass569.600 Da
  • Monoisotopic mass569.226074 Da
  • ChemSpider ID167378

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

N-(7-{[(2S,3R,4S,5R)-3,4-Dihydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-2-hydroxy-8-methyl-4-oxo-4H-chromen-3-yl)-4-hydroxy-3-(3-methyl-2-buten-1-yl)benzamid [German] [ACD/IUPAC Name]
N-(7-{[(2S,3R,4S,5R)-3,4-Dihydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-2-hydroxy-8-methyl-4-oxo-4H-chromen-3-yl)-4-hydroxy-3-(3-methyl-2-buten-1-yl)benzamide [ACD/IUPAC Name]
N-(7-{[(2S,3R,4S,5R)-3,4-Dihydroxy-5-méthoxy-6,6-diméthyltétrahydro-2H-pyran-2-yl]oxy}-2-hydroxy-8-méthyl-4-oxo-4H-chromén-3-yl)-4-hydroxy-3-(3-méthyl-2-butén-1-yl)benzamide [French] [ACD/IUPAC Name]
10544-02-2 [RN]
Benzamide, N-(7-((6-deoxy-5-C-methyl-4-O-methyl-β-L-lyxo-hexopyranosyl)oxy)-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl)-4-hydroxy-3-(3-methyl-2-butenyl)-
BENZAMIDE,N-[7-[(6-DEOXY-5-C-METHYL-4-O-METHYL-A-L-LYXO-HEXOPYRANOSYL)OXY]-4-HYDROXY-8-METHYL-2-OXO-2H-1-BENZOPYRAN-3-YL]-4-HYDROXY-3-(3-METHYL-2-BUTEN-1-YL)-
Descarbamylnovobiocin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 786.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.0±3.0 kJ/mol
Flash Point: 429.3±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 146.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 5.25
ACD/KOC (pH 5.5): 61.68
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 69.1±5.0 dyne/cm
Molar Volume: 406.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement