ChemSpider 2D Image | 5-Iminodaunorubicin | C27H30N2O9

5-Iminodaunorubicin

  • Molecular FormulaC27H30N2O9
  • Average mass526.535 Da
  • Monoisotopic mass526.195129 Da
  • ChemSpider ID4576641

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,3S)-3-Acetyl-11-amino-3,6-dihydroxy-10-methoxy-5,12-dioxo-1,2,3,4,5,12-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(1S,3S)-3-Acetyl-11-amino-3,6-dihydroxy-10-methoxy-5,12-dioxo-1,2,3,4,5,12-hexahydro-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,3S)-3-acétyl-11-amino-3,6-dihydroxy-10-méthoxy-5,12-dioxo-1,2,3,4,5,12-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5,12-Naphthacenedione, 3-acetyl-11-amino-1-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-1,2,3,4-tetrahydro-3,6-dihydroxy-10-methoxy-, (1S,3S)- [ACD/Index Name]
5-Iminodaunorubicin
67324-99-6 [RN]
(8S-cis)-8-Acetyl-10-[(3-amino-2,3,6-trideoxy-α-L-lyxo-(hexopyranosyl)oxy]-7,9,10,12-tetrahydro-6,8,11-trihydroxy-12-imino-1-methoxy-5(8H)-naphthacenone
5-ID

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

AIDS005211 [DBID]
AIDS-005211 [DBID]
NSC254681 [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: 864.9±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: 476.9±34.3 °C
Index of Refraction: 1.698
Molar Refractivity: 133.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 1.40
ACD/LogD (pH 5.5): -1.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.08
Polar Surface Area: 192 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 83.5±5.0 dyne/cm
Molar Volume: 346.5±5.0 cm3

Click to predict properties on the Chemicalize site


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