ChemSpider 2D Image | FORTIMICIN C | C18H36N6O7

FORTIMICIN C

  • Molecular FormulaC18H36N6O7
  • Average mass448.514 Da
  • Monoisotopic mass448.264557 Da
  • ChemSpider ID32698050

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

62874-51-5 [RN]
Acetamide, 2-[(aminocarbonyl)amino]-N-[(1S,2R,3R,4S,5S,6R)-4-amino-3-[(2,6-diamino-2,3,4,6,7-pentadeoxy-β-L-lyxo-heptopyranosyl)oxy]-2,5-dihydroxy-6-methoxycyclohexyl]-N-methyl- [ACD/Index Name]
FORTIMICIN C
N-[(1S,2R,3R,4S,5S,6R)-4-Amino-3-({(2R,3R,6S)-3-amino-6-[(1S)-1-aminoethyl]tetrahydro-2H-pyran-2-yl}oxy)-2,5-dihydroxy-6-methoxycyclohexyl]-N2-carbamoyl-N-methylglycinamid [German] [ACD/IUPAC Name]
N-[(1S,2R,3R,4S,5S,6R)-4-Amino-3-({(2R,3R,6S)-3-amino-6-[(1S)-1-aminoethyl]tetrahydro-2H-pyran-2-yl}oxy)-2,5-dihydroxy-6-methoxycyclohexyl]-N2-carbamoyl-N-methylglycinamide [ACD/IUPAC Name]
N-[(1S,2R,3R,4S,5S,6R)-4-Amino-3-({(2R,3R,6S)-3-amino-6-[(1S)-1-aminoéthyl]tétrahydro-2H-pyran-2-yl}oxy)-2,5-dihydroxy-6-méthoxycyclohexyl]-N2-carbamoyl-N-méthylglycinamide [French] [ACD/IUPAC Name]

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

6C0C2P8CX2 [DBID]
UNII:6C0C2P8CX2 [DBID]
UNII-6C0C2P8CX2 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 679.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.1±6.0 kJ/mol
Flash Point: 364.7±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 111.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 11
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -3.47
ACD/LogD (pH 5.5): -8.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 222 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 70.2±5.0 dyne/cm
Molar Volume: 328.4±5.0 cm3

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