ChemSpider 2D Image | Dalbavancin | C88H100Cl2N10O28

Dalbavancin

  • Molecular FormulaC88H100Cl2N10O28
  • Average mass1816.692 Da
  • Monoisotopic mass1814.608521 Da
  • ChemSpider ID23340937
  • defined stereocentres - 18 of 18 defined stereocentres


More details:






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

(1S,2R,19R,22R,33S,36R,39R,51S)-5,31-Dichlor-51-{[3-(dimethylamino)propyl]carbamoyl}-2,25,30,43,48-pentahydroxy-46-(α-D-mannopyranosyloxy)-22-(methylamino)-21,34,37,53,55,58-hexaoxo-7,13,27-trioxa -20,35,38,52,54,57-hexaazaundecacyclo[37.14.2.23,6.214,17.219,33.223,26.18,12.128,32.140,44.010,36.045,50]hexahexaconta-3,5,8(64),9,11,14,16,23,25,28(59),29,31,40(56),41,43,45,47,49, 60,62,65-henicosaen-64-yl-2-desoxy-2-[(10-me [German] [ACD/IUPAC Name]
(1S,2R,19R,22R,33S,36R,39R,51S)-5,31-Dichloro-51-{[3-(dimethylamino)propyl]carbamoyl}-2,25,30,43,48-pentahydroxy-46-(α-D-mannopyranosyloxy)-22-(methylamino)-21,34,37,53,55,58-hexaoxo-7,13,27-triox a-20,35,38,52,54,57-hexaazaundecacyclo[37.14.2.23,6.214,17.219,33.223,26.18,12.128,32.140,44.010,36.045,50]hexahexaconta-3,5,8(64),9,11,14,16,23,25,28(59),29,31,40(56),41,43,45,47,49 ,60,62,65-henicosaen-64-yl 2-deoxy-2-[(10-me [ACD/IUPAC Name]
171500-79-1 [RN]
Acide 2-désoxy-2-[(10-méthylundecanoyl)amino]-β-D-glucopyranosiduronique de (1S,2R,19R,22R,33S,36R,39R,51S)-5,31-dichloro-51-{[3-(diméthylamino)propyl]carbamoyl}-2,25,30,43,48-pentahydroxy-46-(alph a-D-mannopyranosyloxy)-22-(méthylamino)-21,34,37,53,55,58-hexaoxo-7,13,27-trioxa-20,35,38,52,54,57-hexaazaundécacyclo[37.14.2.23,6.214,17.219,33.223,26.18,12.128,32.140,44.010,36.045, 50]hexahexaconta-3,5,8(64),9,11,14,16,23,25 [French] [ACD/IUPAC Name]
Dalvance [Trade name]
Zeven [Trade name]

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

A-A-1 [DBID]
BI397 [DBID]
BI-397 [DBID]
MDL 63,397 [DBID]
MDL-62476 [DBID]
VER001 [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: 1.729
Molar Refractivity: 453.3±0.4 cm3
#H bond acceptors: 38
#H bond donors: 21
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 2.94
ACD/LogD (pH 5.5): -2.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 573 Å2
Polarizability: 179.7±0.5 10-24cm3
Surface Tension: 100.2±5.0 dyne/cm
Molar Volume: 1137.0±5.0 cm3

Click to predict properties on the Chemicalize site





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