ChemSpider 2D Image | 2-[(4Z,8E,12E,16E)-21-{5,6-Dihydroxy-1-[(2-hydroxy-4-oxo-4,5-dihydro-1H-pyrrol-3-yl)carbonyl]-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

2-[(4Z,8E,12E,16E)-21-{5,6-Dihydroxy-1-[(2-hydroxy-4-oxo-4,5-dihydro-1H-pyrrol-3-yl)carbonyl]-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 ID4943765

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Pyrrolidinecarboximidamide, 2-[(4Z,8E,12E,16E)-21-[1-[(4,5-dihydro-2-hydroxy-4-oxo-1H-pyrrol-3-yl)carbonyl]-1,2,4a,5,6,7,8,8a-octahydro-5,6-dihydroxy-1,3-dimethyl-2-naphthalenyl]-2,6,10,14,18-pentah ydroxy-5,11,17,19-tetramethyl-4,8,12,16-heneicosatetraen-1-yl]- [ACD/Index Name]
2-[(4Z,8E,12E,16E)-21-{5,6-Dihydroxy-1-[(2-hydroxy-4-oxo-4,5-dihydro-1H-pyrrol-3-yl)carbonyl]-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]
2-[(4Z,8E,12E,16E)-21-{5,6-Dihydroxy-1-[(2-hydroxy-4-oxo-4,5-dihydro-1H-pyrrol-3-yl)carbonyl]-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]
2-[(4Z,8E,12E,16E)-21-{5,6-Dihydroxy-1-[(2-hydroxy-4-oxo-4,5-dihydro-1H-pyrrol-3-yl)carbonyl]-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]
133352-27-9 [RN]
1-Pyrrolidinecarboximidamide, 2-(21-(1-((2,5-dihydro-4-hydroxy-2-oxo-1H-pyrrol-3-yl)carbonyl)-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-heneicosatetraenyl)-
2-[(4Z,8E,12E,16E)-21-[5,6-DIHYDROXY-1-(2-HYDROXY-4-OXO-1,5-DIHYDROPYRROLE-3-CARBONYL)-1,3-DIMETHYL-4A,5,6,7,8,8A-HEXAHYDRO-2H-NAPHTHALEN-2-YL]-2,6,10,14,18-PENTAHYDROXY-5,11,17,19-TETRAMETHYLHENICOSA-4,8,12,16-TETRAEN-1-YL]PYRROLIDINE-1-CARBOXIMIDAMIDE
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: 1030.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 170.5±6.0 kJ/mol
Flash Point: 576.9±37.1 °C
Index of Refraction: 1.613
Molar Refractivity: 227.8±0.5 cm3
#H bond acceptors: 14
#H bond donors: 12
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: -1.15
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.17
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

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