ChemSpider 2D Image | N-Benzyladriamycin | C34H35NO11

N-Benzyladriamycin

  • Molecular FormulaC34H35NO11
  • Average mass633.642 Da
  • Monoisotopic mass633.221008 Da
  • ChemSpider ID135103

  • 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 3-(benzylamino)-2,3,6-trideoxy-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-3-(benzylamino)-2,3,6-tridesoxy-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
3-(Benzylamino)-2,3,6-tridésoxy-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, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-[(phenylmethyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-, (8S,10S)- [ACD/Index Name]
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy- -10-((2,3,6-trideoxy-3-((phenylmethyl)amino)-α-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-((2,3,6-trideoxy-3-((phenylmethyl)amino)-α-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-
70878-56-7 [RN]
N-Benzyladriamycin
AD288

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

AIDS004412 [DBID]
AIDS-004412 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 865.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.7±3.0 kJ/mol
Flash Point: 477.1±34.3 °C
Index of Refraction: 1.703
Molar Refractivity: 160.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.67
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 9.15
ACD/KOC (pH 7.4): 77.16
Polar Surface Area: 192 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 87.2±5.0 dyne/cm
Molar Volume: 414.7±5.0 cm3

Click to predict properties on the Chemicalize site


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