ChemSpider 2D Image | Chloroeremomycin | C73H88Cl2N10O26

Chloroeremomycin

  • Molecular FormulaC73H88Cl2N10O26
  • Average mass1592.437 Da
  • Monoisotopic mass1590.524780 Da
  • ChemSpider ID391744
  • 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,40R)-22-(2-Amino-2-oxoethyl)-48-{[2-O-(3-amino-2,3,6-trideoxy-3-methyl-α-L-arabino-hexopyranosyl)-β-D-glucopyranosyl]oxy}-2-[(3-amino-2,3,6-trideoxy-3-methyl-α-L-
 arabino-hexopyranosyl)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[26.14.2.23,6.214,17.18,12.129 ,33.010,25.034,39]pentaconta-3,5,8(48), [ACD/IUPAC Name]
(1S,2R,18R,19R,22S,25R,28R,40R)-22-(2-Amino-2-oxoethyl)-48-{[2-O-(3-amino-2,3,6-tridesoxy-3-methyl-α-L-arabino-hexopyranosyl)-β-D-glucopyranosyl]oxy}-2-[(3-amino-2,3,6-tridesoxy-3-methyl-α-
 L-arabino-hexopyranosyl)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[26.14.2.23,6.214,17.18,12.12 9,33.010,25.034,39]pentaconta-3,5,8(48) [German] [ACD/IUPAC Name]
Acide (1S,2R,18R,19R,22S,25R,28R,40R)-22-(2-amino-2-oxoéthyl)-48-{[2-O-(3-amino-2,3,6-tridésoxy-3-méthyl-α-L-arabino-hexopyranosyl)-β-D-glucopyranosyl]oxy}-2-[(3-amino-2,3,6-tridésoxy-3-méthyl- α-L-arabino-hexopyranosyl)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[26.14.2.23,6.214,17.18, 12.129,33.010,25.034,39]pentaconta-3, [French] [ACD/IUPAC Name]
Chloroeremomycin

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

C12014 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.719
Molar Refractivity: 388.3±0.4 cm3
#H bond acceptors: 36
#H bond donors: 23
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -0.45
ACD/LogD (pH 5.5): -6.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 575 Å2
Polarizability: 153.9±0.5 10-24cm3
Surface Tension: 100.1±5.0 dyne/cm
Molar Volume: 983.9±5.0 cm3

Click to predict properties on the Chemicalize site





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