ChemSpider 2D Image | Menogaril | C28H31NO10

Menogaril

  • Molecular FormulaC28H31NO10
  • Average mass541.546 Da
  • Monoisotopic mass541.194824 Da
  • ChemSpider ID4450900
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(1R,10R,12R,21R,22S,23R,24R)-23-(Dimethylamino)-4,8,12,22,24-pentahydroxy-10-methoxy-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-d ion [German] [ACD/IUPAC Name]
(1R,10R,12R,21R,22S,23R,24R)-23-(Dimethylamino)-4,8,12,22,24-pentahydroxy-10-methoxy-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]
(1R,10R,12R,21R,22S,23R,24R)-23-(Diméthylamino)-4,8,12,22,24-pentahydroxy-10-méthoxy-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]
(1R,10R,12R,21R,22S,23R,24R)-23-(Dimethylamino)-4,8,12,22,24-pentahydroxy-10-methoxy-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
(2R,3S,4R,5R,6R,11R,13R)-4-(Dimethylamino)-3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy-11-methoxy-6,13-dimethyl-2,6-epoxy-2H-naphthaceno(1,2-b)oxocin-9,16-dione
(2R,3S,4R,5R,6R,11R,13R)-4-(Dimethylamino)-3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy-11-methoxy-6,13-dimethyl-2,6-epoxy-2H-naphthaceno[1,2-b]oxocin-9,16-dione
(2R,3S,4R,5R,6R,11R,13R)-4-(dimethylamino)-3,5,8,10,13-pentahydroxy-11-methoxy-6,13-dimethyl-3,4,5,6,11,12,13,14-octahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-9,16-dione
[2R-(2a,3b,4a,5b,6a,11a,13a)]-4-(Dimethylamino)-3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy-11-methoxy-6,13-dimethyl-2,6-epoxy-2H-naphthaceno[1,2-b]oxocin-9,16-dione
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-11-methoxy-6,13-dimethyl-, (2R,3S,4R,5R,6R,11R,13R)- [ACD/Index Name]
5230
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

U 52047 [DBID]
NSC 269148 [DBID]
NSC-269148 [DBID]
U-52047 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 800.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.0±3.0 kJ/mol
Flash Point: 437.7±34.3 °C
Index of Refraction: 1.720
Molar Refractivity: 134.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 1.43
ACD/KOC (pH 5.5): 13.25
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 1.86
ACD/KOC (pH 7.4): 17.23
Polar Surface Area: 166 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 91.6±5.0 dyne/cm
Molar Volume: 339.9±5.0 cm3

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