ChemSpider 2D Image | (1S,2R,19R,22R,34S,37R,40R,52S)-5,32-Dichloro-22-(dimethylamino)-52-{[3-(dimethylamino)propyl]carbamoyl}-2,26,31,44,49-pentahydroxy-47-(alpha-D-mannopyranosyloxy)-21,35,38,54,56,59-hexaoxo-7,13,28-tri oxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2~3,6~.2~14,17~.2~19,34~.1~8,12~.1~23,27~.1~29,33~.1~41,45~.0~10,37~.0~46,51~]hexahexaconta-3,5,8(64),9,11,14,16,23(61),24,26,29(60),30,32,41(57),42,44 ,46,48,50,62,65-henicosaen-64-yl 2-deoxy-2-[ | C88H100Cl2N10O28

(1S,2R,19R,22R,34S,37R,40R,52S)-5,32-Dichloro-22-(dimethylamino)-52-{[3-(dimethylamino)propyl]carbamoyl}-2,26,31,44,49-pentahydroxy-47-(α-D-mannopyranosyloxy)-21,35,38,54,56,59-hexaoxo-7,13,28-tri oxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8(64),9,11,14,16,23(61),24,26,29(60),30,32,41(57),42,44 ,46,48,50,62,65-henicosaen-64-yl 2-deoxy-2-[

  • Molecular FormulaC88H100Cl2N10O28
  • Average mass1816.692 Da
  • Monoisotopic mass1814.608521 Da
  • ChemSpider ID21258207

  • defined stereocentres - 17 of 18 defined stereocentres

More details:

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

(1S,2R,19R,22R,34S,37R,40R,52S)-5,32-Dichlor-22-(dimethylamino)-52-{[3-(dimethylamino)propyl]carbamoyl}-2,26,31,44,49-pentahydroxy-47-(α-D-mannopyranosyloxy)-21,35,38,54,56,59-hexaoxo-7,13,28-trio xa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8(64),9,11,14,16,23(61),24,26,29(60),30,32,41(57),42,44,
 46,48,50,62,65-henicosaen-64-yl-2-desoxy-2-[ [German] [ACD/IUPAC Name]
(1S,2R,19R,22R,34S,37R,40R,52S)-5,32-Dichloro-22-(dimethylamino)-52-{[3-(dimethylamino)propyl]carbamoyl}-2,26,31,44,49-pentahydroxy-47-(α-D-mannopyranosyloxy)-21,35,38,54,56,59-hexaoxo-7,13,28-tri oxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8(64),9,11,14,16,23(61),24,26,29(60),30,32,41(57),42,44
 ,46,48,50,62,65-henicosaen-64-yl 2-deoxy-2-[ [ACD/IUPAC Name]
Acide 2-désoxy-2-[(9-méthyldecanoyl)amino]-D-glucopyranosiduronique de (1S,2R,19R,22R,34S,37R,40R,52S)-5,32-dichloro-22-(diméthylamino)-52-{[3-(diméthylamino)propyl]carbamoyl}-2,26,31,44,49-pentahydro ;xy-47-(α-D-mannopyranosyloxy)-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundécacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]he xahexaconta-3,5,8(64),9,11,14,16,23(61),24,2 [French] [ACD/IUPAC Name]
171500-79-1 [RN]
Dalbavancin [INN] [USAN] [Wiki]

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: 1.730
Molar Refractivity: 453.6±0.4 cm3
#H bond acceptors: 38
#H bond donors: 20
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 2.86
ACD/LogD (pH 5.5): -1.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 564 Å2
Polarizability: 179.8±0.5 10-24cm3
Surface Tension: 100.4±5.0 dyne/cm
Molar Volume: 1135.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement