ChemSpider 2D Image | CSID:17288993 | C89H104ClN9O35

  • Molecular FormulaC89H104ClN9O35
  • Average mass1895.270 Da
  • Monoisotopic mass1893.632324 Da
  • ChemSpider ID17288993

  • defined stereocentres - 27 of 32 defined stereocentres

More details:

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

(2S,18S,19R)-48-{[2-O-(3-Amino-2,3,6-tridesoxy-α-D-ribo-hexopyranosyl)-α-D-glucopyranosyl]oxy}-18-[(3-amino-2,3,6-tridesoxy-α-L-ribo-hexopyranosyl)oxy]-5-chlor-19-{[(2S)-2-{4-[(6-desoxy-be
 ta-L-mannopyranosyl)oxy]phenyl}-2-(methylamino)acetyl]amino}-32,35,37-trihydroxy-22-(4-hydroxyphenyl)-2-(α-D-mannopyranosyloxy)-20,23,26,44-tetraoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26. 14.2.23,6.214,17.18,12.129,33.0~10,2 [German] [ACD/IUPAC Name]
Acide (2S,18S,19R)-48-{[2-O-(3-amino-2,3,6-tridésoxy-α-D-ribo-hexopyranosyl)-α-D-glucopyranosyl]oxy}-18-[(3-amino-2,3,6-tridésoxy-α-L-ribo-hexopyranosyl)oxy]-5-chloro-19-{[(2S)-2-{4-[(6-dé
 soxy-β-L-mannopyranosyl)oxy]phényl}-2-(méthylamino)acétyl]amino}-32,35,37-trihydroxy-22-(4-hydroxyphényl)-2-(α-D-mannopyranosyloxy)-20,23,26,44-tétraoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacy 
clo[26.14.2.23,6.214,17.18,12.129,33 [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.757
Molar Refractivity: 460.9±0.4 cm3
#H bond acceptors: 44
#H bond donors: 28
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -2.30
ACD/LogD (pH 5.5): -9.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 693 Å2
Polarizability: 182.7±0.5 10-24cm3
Surface Tension: 113.4±5.0 dyne/cm
Molar Volume: 1123.6±5.0 cm3

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