ChemSpider 2D Image | (13R,14S,27R)-22,33-Dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.2~16,19~.1~3,10~.1~21,25~.0~4,8~.0~14,39~.0~31,35~]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37 -dodecaene 13-oxide | C37H38N2O7

(13R,14S,27R)-22,33-Dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.014,39.031,35]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37 -dodecaene 13-oxide

  • Molecular FormulaC37H38N2O7
  • Average mass622.707 Da
  • Monoisotopic mass622.267883 Da
  • ChemSpider ID160242

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(13R,14S,27R)-22,33-Dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.014,39.031,35]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37 -dodecaen-13-oxid [German] [ACD/IUPAC Name]
(13R,14S,27R)-22,33-Dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.014,39.031,35]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37 -dodecaene 13-oxide [ACD/IUPAC Name]
13-Oxyde de (13R,14S,27R)-22,33-diméthoxy-13,28-diméthyl-2,5,7,20-tétraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.014,39.031,35]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22 ,24,31,34,37-dodécaène [French] [ACD/IUPAC Name]
(13r,14s,27r)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.014,39.031,35]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodecaene 13-oxide(non-preferred name)
104386-92-7 [RN]
113849-03-9 [RN]
L-Methioninamide,N2-benzoyl-L-arginyl- (9CI)

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 1.79
ACD/KOC (pH 5.5): 13.28
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 89.35
ACD/KOC (pH 7.4): 662.37
Polar Surface Area: 76 Å2
Polarizability:
Surface Tension:
Molar Volume:

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