ChemSpider 2D Image | Methyl 10-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methylhexopyranosyl)oxy]-23-(dimethylnitroryl)-4,8,12,22,24-pentahydroxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.0~2,19~.0~5,18~.0~7,16~.0~9,14~ ]pentacosa-2,4,7(16),8,14,18-hexaene-13-carboxylate | C39H49NO17

Methyl 10-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methylhexopyranosyl)oxy]-23-(dimethylnitroryl)-4,8,12,22,24-pentahydroxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14 ]pentacosa-2,4,7(16),8,14,18-hexaene-13-carboxylate

  • Molecular FormulaC39H49NO17
  • Average mass803.803 Da
  • Monoisotopic mass803.300049 Da
  • ChemSpider ID2311266

More details:

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

10-[(6-Désoxy-3-C-méthyl-2,3,4-tri-O-méthylhexopyranosyl)oxy]-23-(diméthylnitroryl)-4,8,12,22,24-pentahydroxy-1,12-diméthyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]penta cosa-2,4,7(16),8,14,18-hexaène-13-carboxylate de méthyle [French] [ACD/IUPAC Name]
2,6-Epoxy-2H-naphthaceno[1,2-b]oxocin-14-carboxylic acid, 11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methylhexopyranosyl)oxy]-4-(dimethylnitroryl)-3,4,5,6,9,11,12,13,14,16-decahydro-3,5,8,10,13-pentahydroxy- 6,13-dimethyl-9,16-dioxo-, methyl ester [ACD/Index Name]
Methyl 10-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methylhexopyranosyl)oxy]-23-(dimethylnitroryl)-4,8,12,22,24-pentahydroxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14 ]pentacosa-2,4,7(16),8,14,18-hexaene-13-carboxylate [ACD/IUPAC Name]
Methyl-10-[(6-desoxy-3-C-methyl-2,3,4-tri-O-methylhexopyranosyl)oxy]-23-(dimethylnitroryl)-4,8,12,22,24-pentahydroxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14 ]pentacosa-2,4,7(16),8,14,18-hexaen-13-carboxylat [German] [ACD/IUPAC Name]
64457-65-4 [RN]
Nogalamycin-N-oxide

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 18
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 13.72
ACD/KOC (pH 5.5): 211.69
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.27
Polar Surface Area: 243 Å2
Polarizability:
Surface Tension:
Molar Volume:

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