ChemSpider 2D Image | 5-iminoaranciamycin | C27H29NO11

5-iminoaranciamycin

  • Molecular FormulaC27H29NO11
  • Average mass543.519 Da
  • Monoisotopic mass543.174072 Da
  • ChemSpider ID24672336

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2S,3S)-3,10,12-Trihydroxy-11-imino-2-methoxy-3-methyl-4,6-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 6-deoxy-2-O-methyl-α-L-mannopyranoside [ACD/IUPAC Name]
(1R,2S,3S)-3,10,12-Trihydroxy-11-imino-2-methoxy-3-methyl-4,6-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl-6-desoxy-2-O-methyl-α-L-mannopyranosid [German] [ACD/IUPAC Name]
1,11(2H,6H)-Naphthacenedione, 4-[(6-deoxy-2-O-methyl-α-L-mannopyranosyl)oxy]-3,4-dihydro-2,5,7-trihydroxy-6-imino-3-methoxy-2-methyl-, (2S,3S,4R)- [ACD/Index Name]
5-iminoaranciamycin
6-Désoxy-2-O-méthyl-α-L-mannopyranoside de (1R,2S,3S)-3,10,12-trihydroxy-11-imino-2-méthoxy-3-méthyl-4,6-dioxo-1,2,3,4,6,11-hexahydro-1-tétracényle [French] [ACD/IUPAC Name]
1219938-05-2 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 731.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 396.2±32.9 °C
Index of Refraction: 1.701
Molar Refractivity: 127.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.23
ACD/KOC (pH 5.5): 116.49
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.60
Polar Surface Area: 196 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 63.8±7.0 dyne/cm
Molar Volume: 329.5±7.0 cm3

Click to predict properties on the Chemicalize site


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