ChemSpider 2D Image | (13E)-23-(Dimethylamino)-4,22,24-trihydroxy-13-[hydroxy(methoxy)methylene]-1,12,21-trimethyl-20,25-dioxahexacyclo[19.3.1.0~2,19~.0~5,18~.0~7,16~.0~9,14~]pentacosa-2,4,9(14),10,15,18-hexaene-6,8,17-tri
one | C30H31NO10

(13E)-23-(Dimethylamino)-4,22,24-trihydroxy-13-[hydroxy(methoxy)methylene]-1,12,21-trimethyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,9(14),10,15,18-hexaene-6,8,17-tri one

  • Molecular FormulaC30H31NO10
  • Average mass565.568 Da
  • Monoisotopic mass565.194824 Da
  • ChemSpider ID4583688
  • Double-bond stereo - Double-bond stereo


More details:






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

(13E)-23-(Dimethylamino)-4,22,24-trihydroxy-13-[hydroxy(methoxy)methylen]-1,12,21-trimethyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,9(14),10,15,18-hexaen-6,8,17-trion [German] [ACD/IUPAC Name]
(13E)-23-(Dimethylamino)-4,22,24-trihydroxy-13-[hydroxy(methoxy)methylene]-1,12,21-trimethyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,9(14),10,15,18-hexaene-6,8,17-tri ;one [ACD/IUPAC Name]
(13E)-23-(Diméthylamino)-4,22,24-trihydroxy-13-[hydroxy(méthoxy)méthylène]-1,12,21-triméthyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,9(14),10,15,18-hexaène-6,8,17-tri ;one [French] [ACD/IUPAC Name]
2,6-Epoxy-2H-naphthaceno[1,2-b]oxocin-9,10,16(14H)-trione, 4-(dimethylamino)-3,4,5,6,9a,13-hexahydro-3,5,8-trihydroxy-14-(hydroxymethoxymethylene)-2,6,13-trimethyl-, (14E)- [ACD/Index Name]
Compound B from Nogalamycin
Nogalamycin compound B
NOGALAMYCIN, COMPOUND B

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

NSC82892 [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: 897.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.7±3.0 kJ/mol
Flash Point: 496.6±34.3 °C
Index of Refraction: 1.703
Molar Refractivity: 141.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.69
ACD/LogD (pH 7.4): -0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 80.9±5.0 dyne/cm
Molar Volume: 365.3±5.0 cm3

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