ChemSpider 2D Image | (1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-3,6-dideoxy-alpha-L-talopyranoside | C27H29NO11

(1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-3,6-dideoxy-α-L-talopyranoside

  • Molecular FormulaC27H29NO11
  • Average mass543.519 Da
  • Monoisotopic mass543.174072 Da
  • ChemSpider ID2312366

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-3,6-dideoxy-α-L-talopyranoside [ACD/IUPAC Name]
(1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-3-amino-3,6-didesoxy-α-L-talopyranosid [German] [ACD/IUPAC Name]
3-Amino-3,6-didésoxy-α-L-talopyranoside de (1S,3S)-3-acétyl-3,5,12-trihydroxy-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 8-acetyl-10-[(3-amino-3,6-dideoxy-α-L-talopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S,10S)- [ACD/Index Name]
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-10-((3-amino-3,6-dideoxy-α-L-talopyranosyl)oxy)-1-methoxy-6,8,11-trihydroxy-, (8S-cis)-
5,12-Naphthacenedione, 8-acetyl-10-((3-amino-3,6-dideoxy-α-L-talopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-
66145-82-2 [RN]
7-O-(3,6-Didesoxy-3-amino-α-D-mannopyranosyl)-daunorubicin

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

DR-16 [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: 814.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.2±3.0 kJ/mol
Flash Point: 446.5±34.3 °C
Index of Refraction: 1.708
Molar Refractivity: 131.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 3.12
ACD/LogD (pH 5.5): -1.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.55
Polar Surface Area: 206 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 95.0±5.0 dyne/cm
Molar Volume: 337.3±5.0 cm3

Click to predict properties on the Chemicalize site


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