Found 6 results

Search term: QMJRFQRMRCJRIV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Ramoplanin A1 | C118H152ClN21O40

Ramoplanin A1

  • Molecular FormulaC118H152ClN21O40
  • Average mass2540.039 Da
  • Monoisotopic mass2538.019287 Da
  • ChemSpider ID16736746

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 25 of 30 defined stereocentres

More details:

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

L-Aspartamide, N1-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,39R,42R,45R,48S,49S)-49-(aminocarbonyl)-24,42-bis(3-aminopropyl)-3-(3-chloro-4-hydroxyphenyl)-18,30,39-tris(1-hydroxyethyl)-15,33,36,45-tetrakis( ;4-hydroxyphenyl)-21-[4-[(2-O-α-D-mannopyranosyl-α-D-mannopyranosyl)oxy]phenyl]-6-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-27-(phenylmethyl)-1-oxa-4,7, 10,13,16,19,22,25,28,31,34,37,40,43,46-penta [ACD/Index Name]
N1-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,39R,42R,45R,48S,49S)-24,42-Bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chlor-4-hydroxyphenyl)-18,30,39-tris(1-hydroxyethyl)-15,33,36,45-tetrakis(4-hydroxyphe nyl)-9-isobutyl-21-(4-{[2-O-(α-D-mannopyranosyl)-α-D-mannopyranosyl]oxy}phenyl)-6-methyl-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,
 46-pentadecaazacyclononatetracontan-48-yl]-N [German] [ACD/IUPAC Name]
N1-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,39R,42R,45R,48S,49S)-24,42-Bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-18,30,39-tris(1-hydroxyethyl)-15,33,36,45-tetrakis(4-hydroxyph enyl)-9-isobutyl-21-(4-{[2-O-(α-D-mannopyranosyl)-α-D-mannopyranosyl]oxy}phenyl)-6-methyl-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43
 ,46-pentadecaazacyclononatetracontan-48-yl]- [ACD/IUPAC Name]
N1-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,39R,42R,45R,48S,49S)-24,42-Bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphényl)-18,30,39-tris(1-hydroxyéthyl)-15,33,36,45-tétrakis(4-hydroxyph ényl)-9-isobutyl-21-(4-{[2-O-(α-D-mannopyranosyl)-α-D-mannopyranosyl]oxy}phényl)-6-méthyl-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadécaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43
 ,46-pentadécaazacyclononatétracontan-48-yl]- [French] [ACD/IUPAC Name]
Ramoplanin A1
81988-87-6 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.691
Molar Refractivity: 635.4±0.4 cm3
#H bond acceptors: 61
#H bond donors: 40
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 3
ACD/LogP: -6.74
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 1000 Å2
Polarizability: 251.9±0.5 10-24cm3
Surface Tension: 96.4±5.0 dyne/cm
Molar Volume: 1660.3±5.0 cm3

Click to predict properties on the Chemicalize site


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