ChemSpider 2D Image | (1S)-3-Acetyl-5,12-dihydroxy-10-methoxy-6,11-dioxo-1,2,6,11-tetrahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside | C27H27NO9

(1S)-3-Acetyl-5,12-dihydroxy-10-methoxy-6,11-dioxo-1,2,6,11-tetrahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside

  • Molecular FormulaC27H27NO9
  • Average mass509.505 Da
  • Monoisotopic mass509.168579 Da
  • ChemSpider ID135041

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-3-Acetyl-5,12-dihydroxy-10-methoxy-6,11-dioxo-1,2,6,11-tetrahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(1S)-3-Acetyl-5,12-dihydroxy-10-methoxy-6,11-dioxo-1,2,6,11-tetrahydro-1-tetracenyl-3-amino-2,3,6-tridesoxy-α-L-lyxo-hexopyranosid [German] [ACD/IUPAC Name]
3-Amino-2,3,6-tridésoxy-α-L-lyxo-hexopyranoside de (1S)-3-acétyl-5,12-dihydroxy-10-méthoxy-6,11-dioxo-1,2,6,11-tétrahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy)-9,10-dihydro-6,11-dihydroxy-1-methoxy-, (S)-
5,12-Naphthacenedione, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-9,10-dihydro-6,11-dihydroxy-1-methoxy-, (10S)- [ACD/Index Name]
68168-14-9 [RN]
69804-36-0 [RN]
9,10-Anhydrodaunorubicin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 757.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 411.8±32.9 °C
Index of Refraction: 1.691
Molar Refractivity: 128.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 4
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.43
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 1.44
ACD/KOC (pH 7.4): 10.16
Polar Surface Area: 166 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 82.2±5.0 dyne/cm
Molar Volume: 335.0±5.0 cm3

Click to predict properties on the Chemicalize site


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