ChemSpider 2D Image | (1S,3S)-3-(Chloroacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-beta-D-glycero-hexopyranoside | C27H28ClNO10

(1S,3S)-3-(Chloroacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-β-D-glycero-hexopyranoside

  • Molecular FormulaC27H28ClNO10
  • Average mass561.965 Da
  • Monoisotopic mass561.140198 Da
  • ChemSpider ID23976001

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(1S,3S)-3-(Chloracetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-3-amino-2,3,6-tridesoxy-β-D-glycero-hexopyranosid [German] [ACD/IUPAC Name]
(1S,3S)-3-(Chloroacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-β-D-glycero-hexopyranoside [ACD/IUPAC Name]
3-Amino-2,3,6-tridésoxy-β-D-glycéro-hexopyranoside de (1S,3S)-3-(2-chloroacétyl)-3,5,12-trihydroxy-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-β-D-glycero-hexopyranosyl)oxy]-8-(2-chloroacetyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S,10S)- [ACD/Index Name]
121250-06-4 [RN]
14-Chloro Daunorubicin
14-Chlorodaunorubicin

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

Density: 1.6±0.1 g/cm3
Boiling Point: 793.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.1±3.0 kJ/mol
Flash Point: 433.9±32.9 °C
Index of Refraction: 1.695
Molar Refractivity: 134.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 3.66
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.60
Polar Surface Area: 186 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 89.0±5.0 dyne/cm
Molar Volume: 350.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement