ChemSpider 2D Image | 2P-DOX | C31H33NO11

2P-DOX

  • Molecular FormulaC31H33NO11
  • Average mass595.594 Da
  • Monoisotopic mass595.205383 Da
  • ChemSpider ID106484

  • 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 2,3,6-trideoxy-3-(2,3-dihydro-1H-pyrrol-1-yl)-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-2,3,6-tridesoxy-3-(2,3-dihydro-1H-pyrrol-1-yl)-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
175795-76-3 [RN]
2,3,6-Tridésoxy-3-(2,3-dihydro-1H-pyrrol-1-yl)-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]
2P-DOX
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-(2,3-dihydro-1H-pyrrol-1-yl)-α-L-lyxo-hexopyranosyl]oxy]-, (8S,10S)- [ACD/Index Name]
2-pyrrolino-DOX
2-pyrrolinodoxorubicin
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-((2,3,6-trideoxy-3-(2,3-dihydro-1H-pyrrol-1-yl)-α-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-
AN-201
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AN 201 [DBID]
AN 204 [DBID]
AN-204 [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: 848.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.3±3.0 kJ/mol
Flash Point: 467.2±34.3 °C
Index of Refraction: 1.713
Molar Refractivity: 148.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 16.79
ACD/KOC (pH 5.5): 174.76
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 21.21
ACD/KOC (pH 7.4): 220.83
Polar Surface Area: 183 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 91.6±5.0 dyne/cm
Molar Volume: 378.2±5.0 cm3

Click to predict properties on the Chemicalize site


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