ChemSpider 2D Image | (1S,3S)-3-(Bromoacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside | C27H28BrNO10

(1S,3S)-3-(Bromoacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside

  • Molecular FormulaC27H28BrNO10
  • Average mass606.416 Da
  • Monoisotopic mass605.089661 Da
  • ChemSpider ID2339126

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,3S)-3-(Bromacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-3-amino-2,3,6-tridesoxy-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
(1S,3S)-3-(Bromoacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
3-Amino-2,3,6-tridésoxy-α-L-lyxo-hexopyranoside de (1S,3S)-3-(2-bromoacétyl)-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-α-L-lyxo-hexopyranosyl)oxy)-8-(bromoacetyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-
5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-8-(2-bromoacetyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S,10S)- [ACD/Index Name]
(8S,10S)-10-[(3-AMINO-2,3,6-TRIDEOXY-A-L-LYXO-HEXOPYRANOSYL)OXY]-8-(2-BROMOACETYL)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-1-METHOXY-5,12-NAPHTHACENEDIONE; 14-BROMODAUNOMYCIN
(8S,10S)-10-{[(2R,4S,5S,6S)-4-AMINO-5-HYDROXY-6-METHYLOXAN-2-YL]OXY}-8-(2-BROMOACETYL)-6,8,11-TRIHYDROXY-1-METHOXY-5,7,8,9,10,12-HEXAHYDROTETRACENE-5,12-DIONE
(8S,10S)-10-{[(2R,4S,5S,6S)-4-AMINO-5-HYDROXY-6-METHYLOXAN-2-YL]OXY}-8-(2-BROMOACETYL)-6,8,11-TRIHYDROXY-1-METHOXY-9,10-DIHYDRO-7H-TETRACENE-5,12-DIONE
14-Bromodaunorubicin
65026-79-1 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 809.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.4±3.0 kJ/mol
Flash Point: 443.4±34.3 °C
Index of Refraction: 1.710
Molar Refractivity: 137.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 3.86
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.38
Polar Surface Area: 186 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 91.7±5.0 dyne/cm
Molar Volume: 352.5±5.0 cm3

Click to predict properties on the Chemicalize site


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