Found 1 result

Search term: 24664656 (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)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-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-propanediyl bis(hydrogen sulfate) | C40H63N9O18S2

(2R)-3-{[(2S,5S,8S,11R,12S,15S,18S,21R)-2,8-Di[(2S)-2-butanyl]-15-(3-carbamimidamidopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-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-propanediyl bis(hydrogen sulfate)

  • Molecular FormulaC40H63N9O18S2
  • Average mass1022.108 Da
  • Monoisotopic mass1021.373230 Da
  • ChemSpider ID24664656

  • 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)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-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-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)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-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-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)-21-hydroxy-5-(4-hydroxybenzyl)-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]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-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 HU1021

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: 1.652
Molar Refractivity: 238.2±0.5 cm3
#H bond acceptors: 27
#H bond donors: 12
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -2.65
ACD/LogD (pH 5.5): -7.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 430 Å2
Polarizability: 94.4±0.5 10-24cm3
Surface Tension: 65.5±7.0 dyne/cm
Molar Volume: 651.3±7.0 cm3

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