ChemSpider 2D Image | (10R)-N-[(2E)-3-(2-Amino-1H-imidazol-5-yl)-2-propen-1-yl]-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide | C16H17Br2N5O4

(10R)-N-[(2E)-3-(2-Amino-1H-imidazol-5-yl)-2-propen-1-yl]-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide

  • Molecular FormulaC16H17Br2N5O4
  • Average mass503.145 Da
  • Monoisotopic mass500.964722 Da
  • ChemSpider ID4948211

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(10R)-N-[(2E)-3-(2-Amino-1H-imidazol-5-yl)-2-propen-1-yl]-7,9-dibrom-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-trien-3-carboxamid [German] [ACD/IUPAC Name]
(10R)-N-[(2E)-3-(2-Amino-1H-imidazol-5-yl)-2-propen-1-yl]-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide [ACD/IUPAC Name]
(10R)-N-[(2E)-3-(2-Amino-1H-imidazol-5-yl)-2-propén-1-yl]-7,9-dibromo-10-hydroxy-8-méthoxy-1-oxa-2-azaspiro[4.5]déca-2,6,8-triène-3-carboxamide [French] [ACD/IUPAC Name]
1-Oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide, N-[(2E)-3-(2-amino-1H-imidazol-5-yl)-2-propen-1-yl]-7,9-dibromo-10-hydroxy-8-methoxy-, (10R)- [ACD/Index Name]
150417-67-7 [RN]
1-Oxa-2-azaspiro(4.5)deca-2,6,8-triene-3-carboxamide, N-(3-(2-amino-1H-imidazol-4-yl)-2-propenyl)-7,9-dibromo-10-hydroxy-8-methoxy-, (5S-(3(Z),5α,10β))-
1-Oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide,N-[(2Z)-3-(2-amino-1H-imidazol-4-yl)-2-propenyl]-7,9-dibromo-10-hydroxy-8-methoxy-,(5S,10R)- (9CI)
aplysinamisine I
Aplysinamisine-I

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.730
Molar Refractivity: 102.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.16
ACD/LogD (pH 5.5): -0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.43
ACD/KOC (pH 7.4): 28.01
Polar Surface Area: 135 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 67.7±7.0 dyne/cm
Molar Volume: 257.3±7.0 cm3

Click to predict properties on the Chemicalize site


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