ChemSpider 2D Image | (2S,3S,4S,6R)-6-{[(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl]oxy}-3-iodo-2-methyltetrahydro-2H-pyran-4-aminium | C27H29INO10

(2S,3S,4S,6R)-6-{[(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl]oxy}-3-iodo-2-methyltetrahydro-2H-pyran-4-aminium

  • Molecular FormulaC27H29INO10
  • Average mass654.424 Da
  • Monoisotopic mass654.083069 Da
  • ChemSpider ID4450316

  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S,3S,4S,6R)-3-Iodo-2-méthyl-6-{[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacétyl)-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényl]oxy}tétrahydro-2H-pyran-4-aminium [French] [ACD/IUPAC Name]
(2S,3S,4S,6R)-6-{[(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl]oxy}-3-iod-2-methyltetrahydro-2H-pyran-4-aminium [German] [ACD/IUPAC Name]
(2S,3S,4S,6R)-6-{[(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl]oxy}-3-iodo-2-methyltetrahydro-2H-pyran-4-aminium [ACD/IUPAC Name]
5,12-Naphthacenedione, 10-[[(2R,4S,5S,6S)-4-aminotetrahydro-5-iodo-6-methyl-2H-pyran-2-yl]oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-, conjugate acid, (8S,10S)- [ACD/Index Name]
(2S,3S,4S,6R)-3-iodo-2-methyl-6-{[(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}tetrahydro-2H-pyran-4-aminium
4'-DEOXY-4'-IODOADRIAMYCIN
4'-deoxy-4'-iododoxorubicin
4'-deoxy-4'-iododoxorubicinium
DM7

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

Density:
Boiling Point: 813.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.9±3.0 kJ/mol
Flash Point: 445.6±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 4.28
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.27
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 1.67
ACD/KOC (pH 7.4): 19.65
Polar Surface Area: 187 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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