ChemSpider 2D Image | N-Methyl-N-[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-hexaen-23-yl]formamide | C27H27NO10

N-Methyl-N-[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-23-yl]formamide

  • Molecular FormulaC27H27NO10
  • Average mass525.504 Da
  • Monoisotopic mass525.163513 Da
  • ChemSpider ID292130

More details:

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

Formamide, N-(3,4,5,6,9,11,12,13,14,16-decahydro-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-2,6-epoxy-2H-naphthaceno[1,2-b]oxocin-4-yl)-N-methyl- [ACD/Index Name]
N-Methyl-N-[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-23-yl]formamid [German] [ACD/IUPAC Name]
N-Methyl-N-[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-23-yl]formamide [ACD/IUPAC Name]
N-Méthyl-N-[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]pentacosa-2,4,7(16),8,14,18-hexaén-23-yl]formamide [French] [ACD/IUPAC Name]
N-Formyl-N-demethyl-7-deoxynogarol
NOGAROL, N-FORMYL-N-DEMETHYL-7-DEOXY

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

NSC314247 [DBID]
U-58867 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 924.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.8±3.0 kJ/mol
Flash Point: 512.9±34.3 °C
Index of Refraction: 1.752
Molar Refractivity: 128.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 68.63
ACD/KOC (pH 5.5): 698.54
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 4.18
ACD/KOC (pH 7.4): 42.56
Polar Surface Area: 174 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 103.4±5.0 dyne/cm
Molar Volume: 314.2±5.0 cm3

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