ChemSpider 2D Image | (1S,3R)-3,5,12-Trihydroxy-3-(2-hydroxyethyl)-11-imino-10-methoxy-6-oxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside | C27H32N2O9

(1S,3R)-3,5,12-Trihydroxy-3-(2-hydroxyethyl)-11-imino-10-methoxy-6-oxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-α-L-arabino-hexopyranoside

  • Molecular FormulaC27H32N2O9
  • Average mass528.551 Da
  • Monoisotopic mass528.210754 Da
  • ChemSpider ID57579685

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,3R)-3,5,12-Trihydroxy-3-(2-hydroxyethyl)-11-imino-10-methoxy-6-oxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-α-L-arabino-hexopyranoside [ACD/IUPAC Name]
(1S,3R)-3,5,12-Trihydroxy-3-(2-hydroxyethyl)-11-imino-10-methoxy-6-oxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-3-amino-2,3,6-tridesoxy-α-L-arabino-hexopyranosid [German] [ACD/IUPAC Name]
3-Amino-2,3,6-tridésoxy-α-L-arabino-hexopyranoside de (1S,3R)-3,5,12-trihydroxy-3-(2-hydroxyéthyl)-11-imino-10-méthoxy-6-oxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5(8H)-Naphthacenone, 10-[(3-amino-2,3,6-trideoxy-α-L-arabino-hexopyranosyl)oxy]-7,9,10,12-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyethyl)-12-imino-1-methoxy-, (8R,10S)- [ACD/Index Name]
236095-29-7 [RN]
GPX150

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

Density: 1.6±0.1 g/cm3
Boiling Point: 755.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.5±3.0 kJ/mol
Flash Point: 410.7±32.9 °C
Index of Refraction: 1.716
Molar Refractivity: 127.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 0.02
ACD/LogD (pH 5.5): -2.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.39
Polar Surface Area: 196 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 67.2±7.0 dyne/cm
Molar Volume: 324.3±7.0 cm3

Click to predict properties on the Chemicalize site


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