ChemSpider 2D Image | (1S,3R)-3,10,12-Trihydroxy-8-methoxy-3-methyl-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 6-deoxy-2-O-methyl-alpha-L-allopyranoside | C27H30O11

(1S,3R)-3,10,12-Trihydroxy-8-methoxy-3-methyl-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 6-deoxy-2-O-methyl-α-L-allopyranoside

  • Molecular FormulaC27H30O11
  • Average mass530.521 Da
  • Monoisotopic mass530.178833 Da
  • ChemSpider ID5511298

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,3R)-3,10,12-Trihydroxy-8-methoxy-3-methyl-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 6-deoxy-2-O-methyl-α-L-allopyranoside [ACD/IUPAC Name]
(1S,3R)-3,10,12-Trihydroxy-8-methoxy-3-methyl-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-6-desoxy-2-O-methyl-α-L-allopyranosid [German] [ACD/IUPAC Name]
5,12-Naphthacenedione, 10-[(6-deoxy-2-O-methyl-α-L-allopyranosyl)oxy]-7,8,9,10-tetrahydro-1,8,11-trihydroxy-3-methoxy-8-methyl-, (8R,10S)- [ACD/Index Name]
6-Désoxy-2-O-méthyl-α-L-allopyranoside de (1S,3R)-3,10,12-trihydroxy-8-méthoxy-3-méthyl-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]

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

ZINC04293357 [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: 758.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.9±3.0 kJ/mol
Flash Point: 253.6±26.4 °C
Index of Refraction: 1.679
Molar Refractivity: 129.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 107.74
ACD/KOC (pH 5.5): 921.48
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 1.75
ACD/KOC (pH 7.4): 14.98
Polar Surface Area: 172 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 84.0±5.0 dyne/cm
Molar Volume: 343.0±5.0 cm3

Click to predict properties on the Chemicalize site


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