ChemSpider 2D Image | ({6-[(3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl)oxy]-3-hydroxy-2-methyltetrahydro-2H-pyran-4-yl}amino)acetic acid | C29H31NO12

({6-[(3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl)oxy]-3-hydroxy-2-methyltetrahydro-2H-pyran-4-yl}amino)acetic acid

  • Molecular FormulaC29H31NO12
  • Average mass585.556 Da
  • Monoisotopic mass585.184631 Da
  • ChemSpider ID101807

More details:

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

({6-[(3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl)oxy]-3-hydroxy-2-methyltetrahydro-2H-pyran-4-yl}amino)acetic acid [ACD/IUPAC Name]
({6-[(3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl)oxy]-3-hydroxy-2-methyltetrahydro-2H-pyran-4-yl}amino)essigsäure [German] [ACD/IUPAC Name]
Acide ({6-[(3-acétyl-3,5,12-trihydroxy-10-méthoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényl)oxy]-3-hydroxy-2-méthyltétrahydro-2H-pyran-4-yl}amino)acétique [French] [ACD/IUPAC Name]
Hexopyranoside, 3-acetyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl 3-[(carboxymethyl)amino]-2,3,6-trideoxy- [ACD/Index Name]
103620-81-1 [RN]
N-(Carboxymethyl)daunorubicin

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

BRN 6049734 [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: 851.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.7±3.0 kJ/mol
Flash Point: 468.8±34.3 °C
Index of Refraction: 1.688
Molar Refractivity: 140.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.95
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 209 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 90.2±5.0 dyne/cm
Molar Volume: 369.5±5.0 cm3

Click to predict properties on the Chemicalize site


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