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-(butyrylamino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside | C31H35NO11

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

  • Molecular FormulaC31H35NO11
  • Average mass597.610 Da
  • Monoisotopic mass597.221008 Da
  • ChemSpider ID2339081

  • defined stereocentres - 6 of 6 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-(butyrylamino)-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-(butyrylamino)-2,3,6-tridesoxy-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
3-(Butyrylamino)-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-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-[(1-oxobutyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-, (8S,10S)- [ACD/Index Name]
38942-41-5 [RN]
5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((1-oxobutyl)amino)-α-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-
N-Butyryldaunorubicin

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

NSC 140119 [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: 860.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.0±3.0 kJ/mol
Flash Point: 474.3±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 148.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 65.83
ACD/KOC (pH 5.5): 692.29
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 22.28
ACD/KOC (pH 7.4): 234.34
Polar Surface Area: 189 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 78.1±5.0 dyne/cm
Molar Volume: 404.4±5.0 cm3

Click to predict properties on the Chemicalize site


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