Found 8 results

Search term: AAHYWTFSLXCSNH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,3R,6S,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-beta-D-xylo-hexopyr anosyl}oxy)-26-oxapentacyclo[22.2.1.0~1,6~.0~13,22~.0~16,21~]heptacosa-4,7,11,14,24(27)-pentaen-17-yl 2,6-dideoxy-alpha-L-ribo-hexopyranosyl-(1->3)-[2,6-dideoxy-4-O-methyl-beta-L-ribo-hexopyranosyl-(1 ->4)]-2,6-dideoxy-alpha-L-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-alpha-L-ribo-hexopyranoside | C67H100N2O24

(1S,3R,6S,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-hexopyr anosyl}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-ribo-hexopyranosyl-(1->3)-[2,6-dideoxy-4-O-methyl-β-L-ribo-hexopyranosyl-(1 ->4)]-2,6-dideoxy-α-L-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-α-L-ribo-hexopyranoside

  • Molecular FormulaC67H100N2O24
  • Average mass1317.510 Da
  • Monoisotopic mass1316.666626 Da
  • ChemSpider ID128942510

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 31 of 31 defined stereocentres

More details:

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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