Found 30 results

Search term: MF = 'C_{29}H_{30}O_{11}'
ChemSpider 2D Image | (1R,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl (5S)-2,3-dideoxy-5-methyl-3-[(2R)-2-oxiranyl]-beta-D-erythro-pentopyranoside | C29H30O11

(1R,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl (5S)-2,3-dideoxy-5-methyl-3-[(2R)-2-oxiranyl]-β-D-erythro-pentopyranoside

  • Molecular FormulaC29H30O11
  • Average mass554.542 Da
  • Monoisotopic mass554.178833 Da
  • ChemSpider ID8341782

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(1R,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl (5S)-2,3-dideoxy-5-methyl-3-[(2R)-2-oxiranyl]-β-D-erythro-pentopyranoside [ACD/IUPAC Name]
(1R,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-(5S)-2,3-didesoxy-5-methyl-3-[(2R)-2-oxiranyl]-β-D-erythro-pentopyranosid [German] [ACD/IUPAC Name]
(5S)-2,3-Didésoxy-5-méthyl-3-[(2R)-2-oxiranyl]-β-D-érythro-pentopyranoside de (1R,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-[[(5S)-2,3-dideoxy-5-C-methyl-3-[(2R)-oxiranyl]-β-D-erythro-pentopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S,10R)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 791.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.8±3.0 kJ/mol
Flash Point: 263.1±26.4 °C
Index of Refraction: 1.685
Molar Refractivity: 135.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 71.83
ACD/KOC (pH 5.5): 736.88
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 24.31
ACD/KOC (pH 7.4): 249.40
Polar Surface Area: 172 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 83.9±5.0 dyne/cm
Molar Volume: 355.9±5.0 cm3

Click to predict properties on the Chemicalize site


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