ChemSpider 2D Image | Kijanimicin | C67H100N2O24

Kijanimicin

  • Molecular FormulaC67H100N2O24
  • Average mass1317.510 Da
  • Monoisotopic mass1316.666626 Da
  • ChemSpider ID29272074

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 29 of 31 defined stereocentres

More details:

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

(1S,3R,6S,7E,9S,11E,13S,16S,17S,18S,20S,21R,22S)-27-Hydroxy-4-(hydroxymethyl)-3,8,12,18,20,22-hexamethyl-23,25-dioxo-9-({2,3,4,6-tetradeoxy-4-[(methoxycarbonyl)amino]-3-methyl-3-nitro-β-D-xylo-hexo pyranosyl}oxy)-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,14,24(27)-pentaen-17-yl 2,6-dideoxy-α-L-arabino-hexopyranosyl-(1->3)-[2,6-dideoxy-4-O-methyl-β-L-ribo-hexopyrano syl-(1->4)]-2,6-dideoxy-α-L-glycero-hexo [ACD/IUPAC Name]
(1S,3R,6S,7E,9S,11E,13S,16S,17S,18S,20S,21R,22S)-27-Hydroxy-4-(hydroxymethyl)-3,8,12,18,20,22-hexamethyl-23,25-dioxo-9-({2,3,4,6-tetradesoxy-4-[(methoxycarbonyl)amino]-3-methyl-3-nitro-β-D-xylo-hex opyranosyl}oxy)-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,14,24(27)-pentaen-17-yl-2,6-didesoxy-α-L-arabino-hexopyranosyl-(1->3)-[2,6-didesoxy-4-O-methyl-β-L-ribo-hexopyr
 anosyl-(1->4)]-2,6-didesoxy-α-L-glycero- [German] [ACD/IUPAC Name]
16a,19-Metheno-18H-benzo[b]naphth[2,1-j]oxacyclotetradecin-18,20(1H)-dione, 4-[[O-2,6-dideoxy-α-L-arabino-hexopyranosyl-(1->3)-O-[2,6-dideoxy-4-O-methyl-β-L-ribo-hexopyranosyl-(1->4)]-O-2,6-did eoxy-α-L-glycero-hexopyranosyl-(1->3)-2,6-dideoxy-α-L-ribo-hexopyranosyl]oxy]-2,3,4,4a,6a,9,10,12a,15,16,20a,20b-dodecahydro-21-hydroxy-14-(hydroxymethyl)-1,3,7,11,15,20a-hexamethyl-10-[[2,3,4 ,6-tetradeoxy-4-[(methoxycarbonyl)amino]-3-m [ACD/Index Name]
2,6-Didésoxy-α-L-arabino-hexopyranosyl-(1->3)-[2,6-didésoxy-4-O-méthyl-β-L-ribo-hexopyranosyl-(1->4)]-2,6-didésoxy-α-L-glycéro-hexopyranosyl-(1->3)-2,6-didésoxy-α-L-ribo-hexopyranoside de (1S,3R,6S,7E,9S,11E,13S,16S,17S,18S,20S,21R,22S)-27-hydroxy-4-(hydroxyméthyl)-3,8,12,18,20,22-hexaméthyl-23,25-dioxo-9-({2,3,4,6-tétradésoxy-4-[(méthoxycarbonyl)amino]-3-méthyl-3-nitro-β-D-xylo- hexopyranosyl}oxy)-26-oxapentacyclo[22.2.1.0 [French] [ACD/IUPAC Name]
78798-08-0 [RN]
Kijanimicin

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.596
Molar Refractivity: 331.6±0.4 cm3
#H bond acceptors: 26
#H bond donors: 7
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 4
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 1819.65
ACD/KOC (pH 5.5): 3797.38
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 30.85
ACD/KOC (pH 7.4): 64.38
Polar Surface Area: 350 Å2
Polarizability: 131.4±0.5 10-24cm3
Surface Tension: 62.6±5.0 dyne/cm
Molar Volume: 973.9±5.0 cm3

Click to predict properties on the Chemicalize site


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