ChemSpider 2D Image | ramoplanin A2 | C119H154ClN21O40

ramoplanin A2

  • Molecular FormulaC119H154ClN21O40
  • Average mass2554.066 Da
  • Monoisotopic mass2552.035156 Da
  • ChemSpider ID17286439
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 30 of 30 defined stereocentres


More details:






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

76168-82-6 [RN]
81988-88-7 [RN]
I9BJ0BR28X
L-Aspartamide, N1-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-49-(aminocarbonyl)-24,42-bis(3-aminopropyl)-3-(3-chloro-4-hydroxyphenyl)-18,39-bis[(1R)-1-hydroxyethyl]-30-[(1S)-1-h ;ydroxyethyl]-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-hexade caoxo-27-(phenylmethyl)-1-oxa-4,7,10,13,16,1 [ACD/Index Name]
N1-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-Bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chlor-4-hydroxyphenyl)-18,39-bis[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl] -15,33,36,45-tetrakis(4-hydroxyphenyl)-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-pentade [German] [ACD/IUPAC Name]
N1-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-Bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-18,39-bis[(1R)-1-hydroxyethyl]-30-[(1S)-1-hydroxyethyl ]-15,33,36,45-tetrakis(4-hydroxyphenyl)-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-4,7,1
 0,13,16,19,22,25,28,31,34,37,40,43,46-pentad [ACD/IUPAC Name]
N1-[(3S,6R,9S,15S,18R,21S,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-Bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphényl)-18,39-bis[(1R)-1-hydroxyéthyl]-30-[(1S)-1-hydroxyéthyl ]-15,33,36,45-tétrakis(4-hydroxyphényl)-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-4,7,1
 0,13,16,19,22,25,28,31,34,37,40,43,46-pentad [French] [ACD/IUPAC Name]
ramoplanin A2 [Wiki]
C12008
RAMOPLANIN
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.689
Molar Refractivity: 640.0±0.4 cm3
#H bond acceptors: 61
#H bond donors: 40
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 3
ACD/LogP: -6.39
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: 253.7±0.5 10-24cm3
Surface Tension: 95.4±5.0 dyne/cm
Molar Volume: 1676.7±5.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form