ChemSpider 2D Image | (1S,3R)-3-Acetyl-3,4,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranoside | C27H29NO10

(1S,3R)-3-Acetyl-3,4,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-α-L-ribo-hexopyranoside

  • Molecular FormulaC27H29NO10
  • Average mass527.520 Da
  • Monoisotopic mass527.179138 Da
  • ChemSpider ID133604

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(1S,3R)-3-Acetyl-3,4,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-α-L-ribo-hexopyranoside [ACD/IUPAC Name]
(1S,3R)-3-Acetyl-3,4,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-3-amino-2,3,6-tridesoxy-α-L-ribo-hexopyranosid [German] [ACD/IUPAC Name]
3-Amino-2,3,6-tridésoxy-α-L-ribo-hexopyranoside de (1S,3R)-3-acétyl-3,4,12-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-2,3,6-trideoxy-α-L-ribo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-7,8,11-trihydroxy-1-methoxy-, (8R,10S)- [ACD/Index Name]
59092-01-2 [RN]
7-O-(3-Amino-2,3,6-trideoxy-α-ribo-hexopyranosyl)daunomycinone

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

Density: 1.5±0.1 g/cm3
Boiling Point: 763.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 415.4±32.9 °C
Index of Refraction: 1.689
Molar Refractivity: 130.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 2.48
ACD/LogD (pH 5.5): -1.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.31
Polar Surface Area: 186 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 86.3±5.0 dyne/cm
Molar Volume: 340.5±5.0 cm3

Click to predict properties on the Chemicalize site


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