ChemSpider 2D Image | 23-(Dimethylamino)-4,8,12,22,24-pentahydroxy-10-isopropoxy-1,12-dimethyl-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-6,17-dione | C30H35NO10

23-(Dimethylamino)-4,8,12,22,24-pentahydroxy-10-isopropoxy-1,12-dimethyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-6,17-dione

  • Molecular FormulaC30H35NO10
  • Average mass569.600 Da
  • Monoisotopic mass569.226074 Da
  • ChemSpider ID286342

More details:

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

2,6-Epoxy-2H-naphthaceno[1,2-b]oxocin-9,16-dione, 4-(dimethylamino)-3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy-6,13-dimethyl-11-(1-methylethoxy)- [ACD/Index Name]
23-(Dimethylamino)-4,8,12,22,24-pentahydroxy-10-isopropoxy-1,12-dimethyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaen-6,17-dion [German] [ACD/IUPAC Name]
23-(Dimethylamino)-4,8,12,22,24-pentahydroxy-10-isopropoxy-1,12-dimethyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-6,17-dione [ACD/IUPAC Name]
23-(Diméthylamino)-4,8,12,22,24-pentahydroxy-10-isopropoxy-1,12-diméthyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaène-6,17-dione [French] [ACD/IUPAC Name]
7-O-Isopropylnogarol
NOGAROL, 7-O-ISOPROPYL- AND 7-O-ISOPROPYLEPI,MIXT.

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

NSC282725 [DBID]
U-54018 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 802.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 439.1±34.3 °C
Index of Refraction: 1.697
Molar Refractivity: 143.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 4
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 4.80
ACD/KOC (pH 5.5): 31.53
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 6.60
ACD/KOC (pH 7.4): 43.33
Polar Surface Area: 166 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 84.4±5.0 dyne/cm
Molar Volume: 372.6±5.0 cm3

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