ChemSpider 2D Image | (8S,10S)-6,8,10,11-Tetrahydroxy-8-methyl-5,12-dioxo-5,7,8,9,10,12-hexahydro-1-tetracenyl 3,6-dideoxy-3-(dimethylamino)-alpha-L-galactopyranoside | C27H31NO10

(8S,10S)-6,8,10,11-Tetrahydroxy-8-methyl-5,12-dioxo-5,7,8,9,10,12-hexahydro-1-tetracenyl 3,6-dideoxy-3-(dimethylamino)-α-L-galactopyranoside

  • Molecular FormulaC27H31NO10
  • Average mass529.536 Da
  • Monoisotopic mass529.194824 Da
  • ChemSpider ID9931447

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(8S,10S)-6,8,10,11-Tetrahydroxy-8-methyl-5,12-dioxo-5,7,8,9,10,12-hexahydro-1-tetracenyl 3,6-dideoxy-3-(dimethylamino)-α-L-galactopyranoside [ACD/IUPAC Name]
(8S,10S)-6,8,10,11-Tetrahydroxy-8-methyl-5,12-dioxo-5,7,8,9,10,12-hexahydro-1-tetracenyl-3,6-didesoxy-3-(dimethylamino)-α-L-galactopyranosid [German] [ACD/IUPAC Name]
3,6-Didésoxy-3-(diméthylamino)-α-L-galactopyranoside de (8S,10S)-6,8,10,11-tétrahydroxy-8-méthyl-5,12-dioxo-5,7,8,9,10,12-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 1-[[3,6-dideoxy-3-(dimethylamino)-α-L-galactopyranosyl]oxy]-7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-8-methyl-, (8S,10S)- [ACD/Index Name]
(+)-komodoquinone A
(8S,10S)-6,8,10,11-tetrahydroxy-8-methyl-5,12-dioxo-5,7,8,9,10,12-hexahydrotetracen-1-yl 3,6-dideoxy-3-(dimethylamino)-α-L-galactopyranoside
630094-57-4 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL468659/
Komodoquinone A
  • Miscellaneous

    • Chemical Class:

      An anthracycline that is komodoquinone B in which the hydroxy group at position 1 is replaced by a 3,6-dideoxy-3-(dimethylamino)-alpha-L-galactopyranoside group. First isolated from the marine bacteri um Streptomyces sp. KS3, it induces neuronal cell differentiation in the neuroblastoma cell line. ChEBI CHEBI:167003

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

Density: 1.6±0.1 g/cm3
Boiling Point: 797.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.6±3.0 kJ/mol
Flash Point: 436.0±32.9 °C
Index of Refraction: 1.715
Molar Refractivity: 131.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.20
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 6.12
ACD/KOC (pH 7.4): 88.20
Polar Surface Area: 177 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 93.7±5.0 dyne/cm
Molar Volume: 334.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement