ChemSpider 2D Image | Esorubicin | C27H29NO10

Esorubicin

  • Molecular FormulaC27H29NO10
  • Average mass527.520 Da
  • Monoisotopic mass527.179138 Da
  • ChemSpider ID134001

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S-(2a(8R*10R*),4b,6b))-10-((4-Aminotetrahydro-6-methyl-2H-pyran-2-yl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione
(8S,10S)-10-(((2S,4R,6S)-4-Aminotetrahydro-6-methyl-2H-pyran-2-yl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione
(8S,10S)-10-{[(2S,4R,6S)-4-Amino-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacétyl)-1-méthoxy-7,8,9,10-tétrahydro-5,12-tétracènedione [French] [ACD/IUPAC Name]
(8S,10S)-10-{[(2S,4R,6S)-4-Amino-6-methyltetrahydro-2H-pyran-2-yl]oxy}-8-glycoloyl-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydro-5,12-tetracendion [German] [ACD/IUPAC Name]
(8S,10S)-10-{[(2S,4R,6S)-4-Amino-6-methyltetrahydro-2H-pyran-2-yl]oxy}-8-glycoloyl-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydro-5,12-tetracenedione [ACD/IUPAC Name]
(8S,10S)-10-{[(2S,4R,6S)-4-Amino-6-methyltetrahydro-2H-pyran-2-yl]oxy}-8-glycoloyl-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
264-575-1 [EINECS]
4'-Deoxyadriamycin
5,12-Naphthacenedione, 10-(((2S,4R,6S)-4-aminotetrahydro-6-methyl-2H-pyran-2-yl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S,10S)-
5,12-Naphthacenedione, 10-[[(2S,4R,6S)-4-aminotetrahydro-6-methyl-2H-pyran-2-yl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-, (8S,10S)- [ACD/Index Name]
More...

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

5172 [DBID]
BRN 1415739 [DBID]
CCRIS 5426 [DBID]
NSC 267469 [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: 765.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 416.9±32.9 °C
Index of Refraction: 1.693
Molar Refractivity: 130.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 3.11
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.16
Polar Surface Area: 186 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 88.8±5.0 dyne/cm
Molar Volume: 338.8±5.0 cm3

Click to predict properties on the Chemicalize site


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