ChemSpider 2D Image | (3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,6-dideoxyhexopyranoside | C27H28O12

(3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,6-dideoxyhexopyranoside

  • Molecular FormulaC27H28O12
  • Average mass544.504 Da
  • Monoisotopic mass544.158081 Da
  • ChemSpider ID303117

  • defined stereocentres - 1 of 6 defined stereocentres

More details:

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

(3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,6-dideoxyhexopyranoside [ACD/IUPAC Name]
(3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-2,6-didesoxyhexopyranosid [German] [ACD/IUPAC Name]
2,6-Didésoxyhexopyranoside de (3S)-3,5,12-trihydroxy-3-(2-hydroxyacétyl)-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 10-[(2,6-dideoxyhexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-, (8S)- [ACD/Index Name]
5,12-Naphthacenedione, 10-[(2, 6-dideoxy-α-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6, 8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-
5,12-Naphthacenedione, 10-[(2,6-dideoxy-α-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-

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

NCI60_003550 [DBID]
NSC376739 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 818.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.7±3.0 kJ/mol
Flash Point: 274.7±27.8 °C
Index of Refraction: 1.712
Molar Refractivity: 129.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.57
ACD/KOC (pH 5.5): 199.33
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 3.72
ACD/KOC (pH 7.4): 64.12
Polar Surface Area: 200 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 99.0±5.0 dyne/cm
Molar Volume: 330.4±5.0 cm3

Click to predict properties on the Chemicalize site


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