ChemSpider 2D Image | (3S)-3-Glycoloyl-3,5,10-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside | C26H27NO10

(3S)-3-Glycoloyl-3,5,10-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside

  • Molecular FormulaC26H27NO10
  • Average mass513.493 Da
  • Monoisotopic mass513.163513 Da
  • ChemSpider ID112032

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(3S)-3-Glycoloyl-3,5,10-trihydroxy-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]
(3S)-3-Glycoloyl-3,5,10-trihydroxy-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]
3-Amino-2,3,6-tridésoxy-α-L-lyxo-hexopyranoside de (3S)-3,5,10-trihydroxy-3-(2-hydroxyacétyl)-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]-7,8,9,10-tetrahydro-1,6,8-trihydroxy-8-(2-hydroxyacetyl)-, (8S)- [ACD/Index Name]
(8S)-10-{[(2R,4S,5S,6S)-4-AMINO-5-HYDROXY-6-METHYLOXAN-2-YL]OXY}-1,6,8-TRIHYDROXY-8-(2-HYDROXYACETYL)-5,7,8,9,10,12-HEXAHYDROTETRACENE-5,12-DIONE
(8S)-10-{[(2R,4S,5S,6S)-4-AMINO-5-HYDROXY-6-METHYLOXAN-2-YL]OXY}-1,6,8-TRIHYDROXY-8-(2-HYDROXYACETYL)-9,10-DIHYDRO-7H-TETRACENE-5,12-DIONE
4-Demethyl-6-deoxydoxorubicin
4-Dmdd
5,12-Naphthacenedione, 10-((4-aminotetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-7,8,9,10-tetrahydro-1,6,8-trihydroxy-8-(hydroxyacetyl)-, (2R-(2α(8S*,10S*),4β,5β,6β))-
96597-11-4 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 807.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.1±3.0 kJ/mol
Flash Point: 442.1±34.3 °C
Index of Refraction: 1.725
Molar Refractivity: 125.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 2.95
ACD/LogD (pH 5.5): -1.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 197 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 100.0±5.0 dyne/cm
Molar Volume: 315.1±5.0 cm3

Click to predict properties on the Chemicalize site


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