ChemSpider 2D Image | Hydroxydoxorubicin | C27H28O12

Hydroxydoxorubicin

  • Molecular FormulaC27H28O12
  • Average mass544.504 Da
  • Monoisotopic mass544.158081 Da
  • ChemSpider ID400506

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 2,6-dideoxy-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-2,6-didesoxy-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
2,6-Didésoxy-α-L-lyxo-hexopyranoside de (1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacétyl)-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 10-((2,6-dideoxy-α-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-
5,12-Naphthacenedione, 10-[(2,6-dideoxy-α-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-, (8S,10S)- [ACD/Index Name]
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-10-((2,6-dideoxy-α-L-lyxo-hexopyranosyl)oxy)-8-(hydroxyacetyl)-1-methoxy-6,8,11-trihydroxy-, (8S-cis)-
73113-90-3 [RN]
Hydroxydoxorubicin [Wiki]
(7S,9S)-7-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
(7S,9S)-7-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyl-oxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyethanoyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
More...

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

M61CNW3494 [DBID]
AIDS005210 [DBID]
AIDS-005210 [DBID]
UNII:M61CNW3494 [DBID]
UNII-M61CNW3494 [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: 818.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.7±3.0 kJ/mol
Flash Point: 274.7±27.8 °C
Index of Refraction: 1.712
Molar Refractivity: 129.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.57
ACD/KOC (pH 5.5): 199.33
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 3.72
ACD/KOC (pH 7.4): 64.12
Polar Surface Area: 200 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 99.0±5.0 dyne/cm
Molar Volume: 330.4±5.0 cm3

Click to predict properties on the Chemicalize site


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