ChemSpider 2D Image | (2R)-2-[(2S,4Z,6S,8E,10R,11S,12E,14S,16E,18R,19R)-21-{(1S,4aS,5S,6R,8aR)-1-[(Z)-(2,4-Dioxo-3-pyrrolidinylidene)(hydroxy)methyl]-5,6-dihydroxy-1,3-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-2-naphthalenyl}-2 ,6,10,14,18-pentahydroxy-5,11,17,19-tetramethyl-4,8,12,16-henicosatetraen-1-yl]-1-pyrrolidinecarboximidamide | C47H74N4O10

(2R)-2-[(2S,4Z,6S,8E,10R,11S,12E,14S,16E,18R,19R)-21-{(1S,4aS,5S,6R,8aR)-1-[(Z)-(2,4-Dioxo-3-pyrrolidinylidene)(hydroxy)methyl]-5,6-dihydroxy-1,3-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-2-naphthalenyl}-2 ,6,10,14,18-pentahydroxy-5,11,17,19-tetramethyl-4,8,12,16-henicosatetraen-1-yl]-1-pyrrolidinecarboximidamide

  • Molecular FormulaC47H74N4O10
  • Average mass855.111 Da
  • Monoisotopic mass854.540466 Da
  • ChemSpider ID59700986

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 14 defined stereocentres

More details:

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

(2R)-2-[(2S,4Z,6S,8E,10R,11S,12E,14S,16E,18R,19R)-21-{(1S,2S,4aS,5S,6R,8aR)-1-[(Z)-(2,4-Dioxo-3-pyrrolidinyliden)(hydroxy)methyl]-5,6-dihydroxy-1,3-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-2-naphthalinyl} -2,6,10,14,18-pentahydroxy-5,11,17,19-tetramethyl-4,8,12,16-henicosatetraen-1-yl]-1-pyrrolidincarboximidamid [German] [ACD/IUPAC Name]
(2R)-2-[(2S,4Z,6S,8E,10R,11S,12E,14S,16E,18R,19R)-21-{(1S,2S,4aS,5S,6R,8aR)-1-[(Z)-(2,4-Dioxo-3-pyrrolidinylidène)(hydroxy)méthyl]-5,6-dihydroxy-1,3-diméthyl-1,2,4a,5,6,7,8,8a-octahydro-2-naphtalényl} -2,6,10,14,18-pentahydroxy-5,11,17,19-tétraméthyl-4,8,12,16-hénicosatétraén-1-yl]-1-pyrrolidinecarboximidamide [French] [ACD/IUPAC Name]
(2R)-2-[(2S,4Z,6S,8E,10R,11S,12E,14S,16E,18R,19R)-21-{(1S,2S,4aS,5S,6R,8aR)-1-[(Z)-(2,4-Dioxo-3-pyrrolidinylidene)(hydroxy)methyl]-5,6-dihydroxy-1,3-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-2-naphthalenyl }-2,6,10,14,18-pentahydroxy-5,11,17,19-tetramethyl-4,8,12,16-henicosatetraen-1-yl]-1-pyrrolidinecarboximidamide [ACD/IUPAC Name]
(2R)-2-[(2S,4Z,6S,8E,10R,11S,12E,14S,16E,18R,19R)-21-{(1S,4aS,5S,6R,8aR)-1-[(Z)-(2,4-Dioxo-3-pyrrolidinyliden)(hydroxy)methyl]-5,6-dihydroxy-1,3-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-2-naphthalinyl}-2, 6,10,14,18-pentahydroxy-5,11,17,19-tetramethyl-4,8,12,16-henicosatetraen-1-yl]-1-pyrrolidincarboximidamid [German] [ACD/IUPAC Name]
(2R)-2-[(2S,4Z,6S,8E,10R,11S,12E,14S,16E,18R,19R)-21-{(1S,4aS,5S,6R,8aR)-1-[(Z)-(2,4-Dioxo-3-pyrrolidinylidène)(hydroxy)méthyl]-5,6-dihydroxy-1,3-diméthyl-1,2,4a,5,6,7,8,8a-octahydro-2-naphtalényl}-2, 6,10,14,18-pentahydroxy-5,11,17,19-tétraméthyl-4,8,12,16-hénicosatétraén-1-yl]-1-pyrrolidinecarboximidamide [French] [ACD/IUPAC Name]
(2R)-2-[(2S,4Z,6S,8E,10R,11S,12E,14S,16E,18R,19R)-21-{(1S,4aS,5S,6R,8aR)-1-[(Z)-(2,4-Dioxo-3-pyrrolidinylidene)(hydroxy)methyl]-5,6-dihydroxy-1,3-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-2-naphthalenyl}-2 ,6,10,14,18-pentahydroxy-5,11,17,19-tetramethyl-4,8,12,16-henicosatetraen-1-yl]-1-pyrrolidinecarboximidamide [ACD/IUPAC Name]
1-Pyrrolidinecarboximidamide, 2-[(2S,4Z,6S,8E,10R,11S,12E,14S,16E,18R,19R)-21-[(1S,2S,4aS,5S,6R,8aR)-1-[(Z)-(2,4-dioxo-3-pyrrolidinylidene)hydroxymethyl]-1,2,4a,5,6,7,8,8a-octahydro-5,6-dihydroxy-1,3- dimethyl-2-naphthalenyl]-2,6,10,14,18-pentahydroxy-5,11,17,19-tetramethyl-4,8,12,16-heneicosatetraen-1-yl]-, (2R)- [ACD/Index Name]
1-Pyrrolidinecarboximidamide, 2-[(2S,4Z,6S,8E,10R,11S,12E,14S,16E,18R,19R)-21-[(1S,4aS,5S,6R,8aR)-1-[(Z)-(2,4-dioxo-3-pyrrolidinylidene)hydroxymethyl]-1,2,4a,5,6,7,8,8a-octahydro-5,6-dihydroxy-1,3-dim ethyl-2-naphthalenyl]-2,6,10,14,18-pentahydroxy-5,11,17,19-tetramethyl-4,8,12,16-heneicosatetraen-1-yl]-, (2R)- [ACD/Index Name]
lydicamycin

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.613
Molar Refractivity: 227.8±0.5 cm3
#H bond acceptors: 14
#H bond donors: 12
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -0.42
ACD/LogD (pH 5.5): -1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 261 Å2
Polarizability: 90.3±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 654.6±7.0 cm3

Click to predict properties on the Chemicalize site


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