ChemSpider 2D Image | Friulimicin B | C59H94N14O19

Friulimicin B

  • Molecular FormulaC59H94N14O19
  • Average mass1303.460 Da
  • Monoisotopic mass1302.682007 Da
  • ChemSpider ID32699135
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres


More details:






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

(2S)-2-[(6S,9R,15S,21S,24S,26aR,33S,34S,36aS)-9-[(1R)-1-Aminoethyl]-15,21-bis(carboxymethyl)-6-isopropyl-34-methyl-33-({N2-[(3Z)-12-methyl-3-tridecenoyl]-L-asparaginyl}amino)-5,8,11,14,17,20,23,26,3 2,36-decaoxotetratriacontahydro-1H,5H-pyrido[1,2-a]pyrrolo[1,2-y][1,4,7,10,13,16,19,22,25,28]decaazacyclohentriacontin-24-yl]propanoic acid [ACD/IUPAC Name]
(2S)-2-[(6S,9R,15S,21S,24S,26aR,33S,34S,36aS)-9-[(1R)-1-Aminoethyl]-15,21-bis(carboxymethyl)-6-isopropyl-34-methyl-33-({N2-[(3Z)-12-methyl-3-tridecenoyl]-L-asparaginyl}amino)-5,8,11,14,17,20,23,26,3 2,36-decaoxotetratriacontahydro-1H,5H-pyrido[1,2-a]pyrrolo[1,2-y][1,4,7,10,13,16,19,22,25,28]decaazacyclohentriacontin-24-yl]propansäure [German] [ACD/IUPAC Name]
1H,5H-Pyrido[1,2-a]pyrrolo[1,2-y][1,4,7,10,13,16,19,22,25,28]decaazacyclohentriacontine-15,21,24-triacetic acid, 9-[(1R)-1-aminoethyl]-33-[[(2S)-4-amino-2-[[(3Z)-12-methyl-1-oxo-3-tridecen-1-yl]amino] ;-1,4-dioxobutyl]amino]tetratriacontahydro-α24,34-dimethyl-6-(1-methylethyl)-5,8,11,14,17,20,23,26,32,36-decaoxo-, (α24S,6S,9R,15S,21S,24S,26aR,33S,34S,36aS)- [ACD/Index Name]
239802-15-4 [RN]
Acide (2S)-2-[(6S,9R,15S,21S,24S,26aR,33S,34S,36aS)-9-[(1R)-1-aminoéthyl]-15,21-bis(carboxyméthyl)-6-isopropyl-34-méthyl-33-({N2-[(3Z)-12-méthyl-3-tridecenoyl]-L-asparaginyl}amino)-5,8,11,14,17,20,2 
3,26,32,36-décaoxotétratriacontahydro-1H,5H-pyrido[1,2-a]pyrrolo[1,2-y][1,4,7,10,13,16,19,22,25,28]décaazacyclohéntriacontin-24-yl]propanoïque [French] [ACD/IUPAC Name]
Friulimicin B
friulimicin

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

AYO43961I1 [DBID]
UNII:AYO43961I1 [DBID]
UNII-AYO43961I1 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 1711.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 293.2±6.0 kJ/mol
Flash Point: 988.8±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 326.7±0.4 cm3
#H bond acceptors: 33
#H bond donors: 17
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: -4.18
ACD/LogD (pH 5.5): -8.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 513 Å2
Polarizability: 129.5±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 958.5±5.0 cm3

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