ChemSpider 2D Image | Sabarubicin | C32H37NO13

Sabarubicin

  • Molecular FormulaC32H37NO13
  • Average mass643.635 Da
  • Monoisotopic mass643.226501 Da
  • ChemSpider ID133880
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 4-O-(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)-2,6-dideoxy-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-4-O-(3-amino-2,3,6-tridesoxy-α-L-lyxo-hexopyranosyl)-2,6-didesoxy-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
211100-13-9 [RN]
4-O-(3-Amino-2,3,6-tridésoxy-α-L-lyxo-hexopyranosyl)-2,6-didésoxy-α-L-lyxo-hexopyranoside de (1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacétyl)-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 7-[[4-O-(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)-2,6-dideoxy-α-L-lyxo-hexopyranosyl]oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-, (7S,9S)- [ACD/Index Name]
8396
Sabarubicin [Wiki]
XS499WOZ93
(7S,9S)-7-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
4'-(O-α-L-DAUNOSAMINYL)-4-DEMETHOXYDOXORUBICIN
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 878.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.7±3.0 kJ/mol
Flash Point: 484.9±34.3 °C
Index of Refraction: 1.698
Molar Refractivity: 155.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.60
ACD/LogD (pH 5.5): -1.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.98
Polar Surface Area: 236 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 93.6±5.0 dyne/cm
Molar Volume: 404.0±5.0 cm3

Click to predict properties on the Chemicalize site





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