ChemSpider 2D Image | (1S,3S)-3,5,10,12-Tetrahydroxy-3-(1-hydroxyethyl)-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-formamidohexopyranoside | C27H29NO11

(1S,3S)-3,5,10,12-Tetrahydroxy-3-(1-hydroxyethyl)-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-formamidohexopyranoside

  • Molecular FormulaC27H29NO11
  • Average mass543.519 Da
  • Monoisotopic mass543.174072 Da
  • ChemSpider ID32772713
  • defined stereocentres - 2 of 7 defined stereocentres


More details:






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

(1S,3S)-3,5,10,12-Tetrahydroxy-3-(1-hydroxyethyl)-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,3,6-trideoxy-3-formamidohexopyranoside [ACD/IUPAC Name]
(1S,3S)-3,5,10,12-Tetrahydroxy-3-(1-hydroxyethyl)-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-2,3,6-tridesoxy-3-formamidohexopyranosid [German] [ACD/IUPAC Name]
2,3,6-Tridésoxy-3-formamidohexopyranoside de (1S,3S)-3,5,10,12-tétrahydroxy-3-(1-hydroxyéthyl)-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-8-(1-hydroxyethyl)-10-[[2,3,6-trideoxy-3-(formylamino)hexopyranosyl]oxy]-, (8S,10S)- [ACD/Index Name]
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-8-(1-hydroxyethyl)-10-[[2,3,6-trideoxy-3-(formylamino)-α-L-lyxo-hexopyranosyl]oxy]-, (8S-cis)-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 829.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.4±3.0 kJ/mol
Flash Point: 455.5±34.3 °C
Index of Refraction: 1.721
Molar Refractivity: 131.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 54.76
ACD/KOC (pH 5.5): 589.69
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 3.14
ACD/KOC (pH 7.4): 33.84
Polar Surface Area: 203 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 100.0±5.0 dyne/cm
Molar Volume: 332.7±5.0 cm3

Click to predict properties on the Chemicalize site






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