ChemSpider 2D Image | 4-(dimethylamino)-3,5,8,10,13-pentahydroxy-6,13-dimethyl-11-(prop-2-yn-1-yloxy)-3,4,5,6,11,12,13,14-octahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-9,16-dione | C30H31NO10

4-(dimethylamino)-3,5,8,10,13-pentahydroxy-6,13-dimethyl-11-(prop-2-yn-1-yloxy)-3,4,5,6,11,12,13,14-octahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-9,16-dione

  • Molecular FormulaC30H31NO10
  • Average mass565.568 Da
  • Monoisotopic mass565.194824 Da
  • ChemSpider ID292131

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-(2-propyn-1-yloxy)- [ACD/Index Name]
23-(Dimethylamino)-4,8,12,22,24-pentahydroxy-1,12-dimethyl-10-(2-propin-1-yloxy)-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-1,12-dimethyl-10-(2-propyn-1-yloxy)-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-1,12-diméthyl-10-(2-propyn-1-yloxy)-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]
4-(dimethylamino)-3,5,8,10,13-pentahydroxy-6,13-dimethyl-11-(prop-2-yn-1-yloxy)-3,4,5,6,11,12,13,14-octahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-9,16-dione
23-dimethylamino-4,8,12,22,24-pentahydroxy-1,12-dimethyl-10-(2-propynyloxy)-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2(19),3,5(18),7(16),8,14-hexaene-6,17-dione
NOGAROL,PROPARGYL, 7(R)-O-

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

NSC314248 [DBID]
U-58884 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 838.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.7±3.0 kJ/mol
Flash Point: 460.8±34.3 °C
Index of Refraction: 1.722
Molar Refractivity: 141.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 2.32
ACD/KOC (pH 5.5): 18.68
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 2.70
ACD/KOC (pH 7.4): 21.69
Polar Surface Area: 166 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 93.9±5.0 dyne/cm
Molar Volume: 356.9±5.0 cm3

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