ChemSpider 2D Image | (1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-4-O-(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside | C33H40N2O12

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

  • Molecular FormulaC33H40N2O12
  • Average mass656.677 Da
  • Monoisotopic mass656.258118 Da
  • ChemSpider ID147610

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-4-O-(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-3-amino-4-O-(3-amino-2,3,6-tridesoxy-α-L-lyxo-hexopyranosyl)-2,3,6-tridesoxy-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
3-Amino-4-O-(3-amino-2,3,6-tridésoxy-α-L-lyxo-hexopyranosyl)-2,3,6-tridésoxy-α-L-lyxo-hexopyranoside de (1S,3S)-3-acétyl-3,5,12-trihydroxy-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétrac ényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 8-acetyl-10-[[3-amino-4-O-(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8 S,10S)- [ACD/Index Name]
(1S,3S)-α-3-Acetyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl-3-amino-4-O-(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-L-lyxo-hexopyranoside
(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
28008-54-0 [RN]
Daunosamnyl-daunorubicin
L-lyxo-Hexopyranoside, 3-acetyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl-3-amino-4-O-(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-, (1S,3S)-α-

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

Density: 1.5±0.1 g/cm3
Boiling Point: 857.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.6±3.0 kJ/mol
Flash Point: 472.3±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 162.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.06
ACD/LogD (pH 5.5): -2.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 230 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 82.9±5.0 dyne/cm
Molar Volume: 434.5±5.0 cm3

Click to predict properties on the Chemicalize site


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