ChemSpider 2D Image | (1S,2R,19R,22R,34S,37R,40R)-5,32-Dichloro-52-{[3-(dimethylamino)propyl]carbamoyl}-2,26,31,44,49-pentahydroxy-47-(alpha-D-mannopyranosyloxy)-22-(methylamino)-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-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-[(10-me | C88H100Cl2N10O28

(1S,2R,19R,22R,34S,37R,40R)-5,32-Dichloro-52-{[3-(dimethylamino)propyl]carbamoyl}-2,26,31,44,49-pentahydroxy-47-(α-D-mannopyranosyloxy)-22-(methylamino)-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-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-[(10-me

  • Molecular FormulaC88H100Cl2N10O28
  • Average mass1816.692 Da
  • Monoisotopic mass1814.608521 Da
  • ChemSpider ID30791917

  • 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)-5,32-Dichlor-52-{[3-(dimethylamino)propyl]carbamoyl}-2,26,31,44,49-pentahydroxy-47-(α-D-mannopyranosyloxy)-22-(methylamino)-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-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-[(10-me [German] [ACD/IUPAC Name]
(1S,2R,19R,22R,34S,37R,40R)-5,32-Dichloro-52-{[3-(dimethylamino)propyl]carbamoyl}-2,26,31,44,49-pentahydroxy-47-(α-D-mannopyranosyloxy)-22-(methylamino)-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-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-[(10-me [ACD/IUPAC Name]
Acide 2-désoxy-2-[(10-méthylundecanoyl)amino]-β-D-glucopyranosiduronique de (1S,2R,19R,22R,34S,37R,40R)-5,32-dichloro-52-{[3-(diméthylamino)propyl]carbamoyl}-2,26,31,44,49-pentahydroxy-47-(α-D- mannopyranosyloxy)-22-(méthylamino)-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] hexahexaconta-3,5,8(64),9,11,14,16,23(61),24 [French] [ACD/IUPAC Name]
(2S,3S,4R,5R,6S)-6-{[(1S,2R,19R,22R,34S,37R,40R)-5,32-dichloro-52-{[3-(dimethylamino)propyl]carbamoyl}-2,26,31,44,49-pentahydroxy-22-(methylamino)-21,35,38,54,56,59-hexaoxo-47-{[(2R,3S,4S,5S,6R)-3,4,5
171500-79-1 [RN]
5,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-56-O­ [2-deoxy-2-[(10-methylundecanoyl)amino]-β-D-glucopyranuronosyl]-38-[[3-(dimethylamino)propyl] carbamoyl]-42-O-α-D-mannopyranosyl-15-N-methyl(ristomycin A aglycone) hydrochloride; dalbavancin B0
5,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-56-O?? [2-deoxy-2-[(10-methylundecanoyl)amino]-??-D-glucopyranuronosyl]-38-[[3-(dimethylamino)propyl] carbamoyl]-42-O-??-D-mannopyranosyl-15-N-methyl(ristomycin A aglycone) hydrochloride
5,31-dichloro-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-56-O?? [2-deoxy-2-[(10-methylundecanoyl)amino]-??-D-glucopyranuronosyl]-38-[[3-(dimethylamino)propyl] carbamoyl]-42-O-??-D-mannopyranosyl-15-N-methyl(ristomycin A aglycone) hydrochloride; dalbavancin B0
a a-1
B0U42518WL
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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: 1.729
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): -2.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.58
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

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