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 4-O-acetyl-3-{[(allyloxy)carbonyl]amino}-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside | C33H35NO13

(1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 4-O-acetyl-3-{[(allyloxy)carbonyl]amino}-2,3,6-trideoxy-α-L-arabino-hexopyranoside

  • Molecular FormulaC33H35NO13
  • Average mass653.630 Da
  • Monoisotopic mass653.210815 Da
  • ChemSpider ID9192925

  • 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 4-O-acetyl-3-{[(allyloxy)carbonyl]amino}-2,3,6-trideoxy-α-L-arabino-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-4-O-acetyl-3-{[(allyloxy)carbonyl]amino}-2,3,6-tridesoxy-α-L-arabino-hexopyranosid [German] [ACD/IUPAC Name]
4-O-Acétyl-3-{[(allyloxy)carbonyl]amino}-2,3,6-tridésoxy-α-L-arabino-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-10-[[4-O-acetyl-2,3,6-trideoxy-3-[[(2-propen-1-yloxy)carbonyl]amino]-α-L-arabino-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S,10S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 822.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.3±3.0 kJ/mol
Flash Point: 451.1±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 159.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 568.70
ACD/KOC (pH 5.5): 3240.37
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 192.35
ACD/KOC (pH 7.4): 1095.99
Polar Surface Area: 204 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 74.1±5.0 dyne/cm
Molar Volume: 443.0±5.0 cm3

Click to predict properties on the Chemicalize site


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