ChemSpider 2D Image | (1S,3R,4R)-3-Ethyl-3,4,5,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside | C26H29NO10

(1S,3R,4R)-3-Ethyl-3,4,5,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside

  • Molecular FormulaC26H29NO10
  • Average mass515.509 Da
  • Monoisotopic mass515.179138 Da
  • ChemSpider ID140105

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,3R,4R)-3-Ethyl-3,4,5,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(1S,3R,4R)-3-Ethyl-3,4,5,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-3-amino-2,3,6-tridesoxy-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
105615-58-5 [RN]
3-Amino-2,3,6-tridésoxy-α-L-lyxo-hexopyranoside de (1S,3R,4R)-3-éthyl-3,4,5,10,12-pentahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-8-ethyl-7,8,9,10-tetrahydro-1,6,7,8,11-pentahydroxy-, (7R,8R,10S)- [ACD/Index Name]
(7R,8R,10S)-10-{[(2R,4S,5S,6S)-4-AMINO-5-HYDROXY-6-METHYLOXAN-2-YL]OXY}-8-ETHYL-1,6,7,8,11-PENTAHYDROXY-5,7,8,9,10,12-HEXAHYDROTETRACENE-5,12-DIONE
(7R,8R,10S)-10-{[(2R,4S,5S,6S)-4-AMINO-5-HYDROXY-6-METHYLOXAN-2-YL]OXY}-8-ETHYL-1,6,7,8,11-PENTAHYDROXY-9,10-DIHYDRO-7H-TETRACENE-5,12-DIONE
5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy)-8-ethyl-7,8,9,10-tetrahydro-1,6,7,8,11-pentahydroxy-
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy)-8-ethyl-1,6,7,8,11-pentahydroxy-, (8S-cis)-
7-O-(α-L-Daunosaminyl)-β-rhodomycinone
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 687.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 369.5±31.5 °C
Index of Refraction: 1.734
Molar Refractivity: 126.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.46
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.10
Polar Surface Area: 200 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 102.4±5.0 dyne/cm
Molar Volume: 315.7±5.0 cm3

Click to predict properties on the Chemicalize site


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