ChemSpider 2D Image | (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-2-[(3-amino-2,3,6-trideoxy-3-methyl-alpha-L-arabino-hexopyranosyl)oxy]-48-[(2-O-{3-[(4-benzylbenzyl)amino]-2,3,6-trideoxy-3-methyl-alpha-L-arabi no-hexopyranosyl}-beta-D-glucopyranosyl)oxy]-5,15-dichloro-18,32,35,37-tetrahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2~3,6~.2~1 4,17~.1~8,12~.1~29,33~.0~10,25~.0~34,39~]pen | C87H100Cl2N10O26

(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-2-[(3-amino-2,3,6-trideoxy-3-methyl-α-L-arabino-hexopyranosyl)oxy]-48-[(2-O-{3-[(4-benzylbenzyl)amino]-2,3,6-trideoxy-3-methyl-α-L-arabi no-hexopyranosyl}-β-D-glucopyranosyl)oxy]-5,15-dichloro-18,32,35,37-tetrahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.21 4,17.18,12.129,33.010,25.034,39]pen

  • Molecular FormulaC87H100Cl2N10O26
  • Average mass1772.682 Da
  • Monoisotopic mass1770.618774 Da
  • ChemSpider ID17304777

  • defined stereocentres - 22 of 22 defined stereocentres

More details:

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

(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-2-[(3-amino-2,3,6-trideoxy-3-methyl-α-L-arabino-hexopyranosyl)oxy]-48-[(2-O-{3-[(4-benzylbenzyl)amino]-2,3,6-trideoxy-3-methyl-α-L-arabi no-hexopyranosyl}-β-D-glucopyranosyl)oxy]-5,15-dichloro-18,32,35,37-tetrahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.21 4,17.18,12.129,33.010,25.034,39]pen [ACD/IUPAC Name]
(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-Amino-2-oxoethyl)-2-[(3-amino-2,3,6-tridesoxy-3-methyl-α-L-arabino-hexopyranosyl)oxy]-48-[(2-O-{3-[(4-benzylbenzyl)amino]-2,3,6-tridesoxy-3-methyl-α-L-ara bino-hexopyranosyl}-β-D-glucopyranosyl)oxy]-5,15-dichlor-18,32,35,37-tetrahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.2 14,17.18,12.129,33.010,25.034,39]pe [German] [ACD/IUPAC Name]
Acide (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoéthyl)-2-[(3-amino-2,3,6-tridésoxy-3-méthyl-α-L-arabino-hexopyranosyl)oxy]-48-[(2-O-{3-[(4-benzylbenzyl)amino]-2,3,6-tridésoxy-3-méthyl-α -L-arabino-hexopyranosyl}-β-D-glucopyranosyl)oxy]-5,15-dichloro-18,32,35,37-tétrahydroxy-19-[(N-méthyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2 3,6.214,17.18,12.129,33.010,25.0~34 [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.719
Molar Refractivity: 447.0±0.4 cm3
#H bond acceptors: 36
#H bond donors: 22
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 3.76
ACD/LogD (pH 5.5): -2.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 561 Å2
Polarizability: 177.2±0.5 10-24cm3
Surface Tension: 95.0±5.0 dyne/cm
Molar Volume: 1133.0±5.0 cm3

Click to predict properties on the Chemicalize site


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