ChemSpider 2D Image | 10-[(6-Deoxy-3-C-methyl-2,3,4-tri-O-methylhexopyranosyl)oxy]-4,8,12,22,24-pentahydroxy-13-(methoxycarbonyl)-N,N,1,12-tetramethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.0~2,19~.0~5,18~.0~7,16~.0~9,14~] pentacosa-2,4,7,14,18-pentaen-23-aminium | C39H52NO16

10-[(6-Deoxy-3-C-methyl-2,3,4-tri-O-methylhexopyranosyl)oxy]-4,8,12,22,24-pentahydroxy-13-(methoxycarbonyl)-N,N,1,12-tetramethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14] pentacosa-2,4,7,14,18-pentaen-23-aminium

  • Molecular FormulaC39H52NO16
  • Average mass790.827 Da
  • Monoisotopic mass790.328064 Da
  • ChemSpider ID21542392

  • Charge - Charge

More details:

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

10-[(6-Deoxy-3-C-methyl-2,3,4-tri-O-methylhexopyranosyl)oxy]-4,8,12,22,24-pentahydroxy-13-(methoxycarbonyl)-N,N,1,12-tetramethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14] pentacosa-2,4,7,14,18-pentaen-23-aminium [ACD/IUPAC Name]
10-[(6-Desoxy-3-C-methyl-2,3,4-tri-O-methylhexopyranosyl)oxy]-4,8,12,22,24-pentahydroxy-13-(methoxycarbonyl)-N,N,1,12-tetramethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14 ]pentacosa-2,4,7,14,18-pentaen-23-aminium [German] [ACD/IUPAC Name]
10-[(6-Désoxy-3-C-méthyl-2,3,4-tri-O-méthylhexopyranosyl)oxy]-4,8,12,22,24-pentahydroxy-13-(méthoxycarbonyl)-N,N,1,12-tétraméthyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14 ]pentacosa-2,4,7,14,18-pentaén-23-aminium [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-(dimethylamino)-3,4,5,6,9,10a,11,12,13,14,15a,16-dodecahydro-3,5,8,10,13-pentah ydroxy-6,13-dimethyl-9,16-dioxo-, methyl ester, conjugate acid [ACD/Index Name]

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

Density:
Boiling Point: 936.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.8±3.0 kJ/mol
Flash Point: 520.2±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.13
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.17
Polar Surface Area: 231 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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