ChemSpider 2D Image | 5-Iminodaunorubicin | C27H30N2O9

5-Iminodaunorubicin

  • Molecular FormulaC27H30N2O9
  • Average mass526.535 Da
  • Monoisotopic mass526.195129 Da
  • ChemSpider ID20128528

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,3S)-3-Acetyl-3,5,12-trihydroxy-11-imino-10-methoxy-6-oxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranoside [ACD/IUPAC Name]
(1S,3S)-3-Acetyl-3,5,12-trihydroxy-11-imino-10-methoxy-6-oxo-1,2,3,4,6,11-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-3,5,12-trihydroxy-11-imino-10-méthoxy-6-oxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
5(8H)-Naphthacenone, 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-, (8S,10S)- [ACD/Index Name]
5-Iminodaunorubicin
72983-78-9 [RN]
5(8H)-Naphthacenone, 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-, (8S-cis)-

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

P910685S6G [DBID]
UNII:P910685S6G [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: 747.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.4±3.0 kJ/mol
Flash Point: 405.9±32.9 °C
Index of Refraction: 1.717
Molar Refractivity: 127.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 0.40
ACD/LogD (pH 5.5): -1.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.16
Polar Surface Area: 193 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 65.7±7.0 dyne/cm
Molar Volume: 323.5±7.0 cm3

Click to predict properties on the Chemicalize site


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