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Search term: YJQPYGGHQPGBLI-KGSXXDOSSA-M (Found by InChIKey (full match))

ChemSpider 2D Image | novobiocin anion | C31H35N2O11

novobiocin anion

  • Molecular FormulaC31H35N2O11
  • Average mass611.617 Da
  • Monoisotopic mass611.224609 Da
  • ChemSpider ID20581485
  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

7-{[(2R,3R,4S,5R)-4-(Carbamoyloxy)-3-hydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3-{[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]amino}-8-methyl-2-oxo-2H-chromen-4-olat (non-preferred n ame) [German] [ACD/IUPAC Name]
7-{[(2R,3R,4S,5R)-4-(Carbamoyloxy)-3-hydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3-{[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]amino}-8-methyl-2-oxo-2H-chromen-4-olate (non-preferred name) [ACD/IUPAC Name]
7-{[(2R,3R,4S,5R)-4-(Carbamoyloxy)-3-hydroxy-5-méthoxy-6,6-diméthyltétrahydro-2H-pyran-2-yl]oxy}-3-{[4-hydroxy-3-(3-méthyl-2-butén-1-yl)benzoyl]amino}-8-méthyl-2-oxo-2H-chromén-4-olate (non-preferred name) [French] [ACD/IUPAC Name]
novobiocin anion
novobiocin [Wiki]
novobiocin(1-)

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

Density:
Boiling Point: 876.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.4±3.0 kJ/mol
Flash Point: 483.7±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 7.82
ACD/KOC (pH 5.5): 81.98
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.30
Polar Surface Area: 199 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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