Found 1 result

Search term: 24665748 (Found by CSID)
ChemSpider 2D Image | (2R)-3-{[(2S,5S,8S,11R,12S,15S,18S,21R)-2,8-Di[(2S)-2-butanyl]-15-(3-carbamimidamidopropyl)-5-(3-chloro-4-methoxybenzyl)-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicy clo[16.3.1]docos-12-yl]amino}-3-oxo-1,2-propanediyl bis(hydrogen sulfate) | C41H64ClN9O18S2

(2R)-3-{[(2S,5S,8S,11R,12S,15S,18S,21R)-2,8-Di[(2S)-2-butanyl]-15-(3-carbamimidamidopropyl)-5-(3-chloro-4-methoxybenzyl)-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicy clo[16.3.1]docos-12-yl]amino}-3-oxo-1,2-propanediyl bis(hydrogen sulfate)

  • Molecular FormulaC41H64ClN9O18S2
  • Average mass1070.579 Da
  • Monoisotopic mass1069.349976 Da
  • ChemSpider ID24665748

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2R)-3-{[(2S,5S,8S,11R,12S,15S,18S,21R)-2,8-Di[(2S)-2-butanyl]-15-(3-carbamimidamidopropyl)-5-(3-chlor-4-methoxybenzyl)-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyc lo[16.3.1]docos-12-yl]amino}-3-oxo-1,2-propandiylbis(hydrogensulfat) [German] [ACD/IUPAC Name]
(2R)-3-{[(2S,5S,8S,11R,12S,15S,18S,21R)-2,8-Di[(2S)-2-butanyl]-15-(3-carbamimidamidopropyl)-5-(3-chloro-4-methoxybenzyl)-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicy clo[16.3.1]docos-12-yl]amino}-3-oxo-1,2-propanediyl bis(hydrogen sulfate) [ACD/IUPAC Name]
Bis(hydrogénosulfate) de (2R)-3-{[(2S,5S,8S,11R,12S,15S,18S,21R)-2,8-di[(2S)-2-butanyl]-15-(3-carbamimidamidopropyl)-5-(3-chloro-4-méthoxybenzyl)-21-hydroxy-4,11-diméthyl-3,6,9,13,16,22-hexaoxo-10-oxa -1,4,7,14,17-pentaazabicyclo[16.3.1]docos-12-yl]amino}-3-oxo-1,2-propanediyle [French] [ACD/IUPAC Name]
Propanamide, N-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-[3-[(aminoiminomethyl)amino]propyl]-5-[(3-chloro-4-methoxyphenyl)methyl]-21-hydroxy-4,11-dimethyl-2,8-bis[(1S)-1-methylpropyl]-3,6,9,13,16,22-hexaoxo- 10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docos-12-yl]-2,3-bis(sulfooxy)-, (2R)- [ACD/Index Name]
micropeptin HU1069

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: 1.643
Molar Refractivity: 247.8±0.5 cm3
#H bond acceptors: 27
#H bond donors: 11
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -1.45
ACD/LogD (pH 5.5): -6.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 419 Å2
Polarizability: 98.2±0.5 10-24cm3
Surface Tension: 62.6±7.0 dyne/cm
Molar Volume: 684.9±7.0 cm3

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