ChemSpider 2D Image | 3-Hydroxy-N-[(2R,5R,6S,9S,10S,11R)-10-hydroxy-2-isopropyl-5,11-dimethyl-3,7,12-trioxo-9-(3-pyridinylmethyl)-1,4-dioxa-8-azacyclododecan-6-yl]-2-pyridinecarboxamide | C26H32N4O8

3-Hydroxy-N-[(2R,5R,6S,9S,10S,11R)-10-hydroxy-2-isopropyl-5,11-dimethyl-3,7,12-trioxo-9-(3-pyridinylmethyl)-1,4-dioxa-8-azacyclododecan-6-yl]-2-pyridinecarboxamide

  • Molecular FormulaC26H32N4O8
  • Average mass528.554 Da
  • Monoisotopic mass528.221985 Da
  • ChemSpider ID29409792
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

2-Pyridinecarboxamide, 3-hydroxy-N-[(2R,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(1-methylethyl)-3,7,12-trioxo-9-(3-pyridinylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]- [ACD/Index Name]
3-Hydroxy-N-[(2R,5R,6S,9S,10S,11R)-10-hydroxy-2-isopropyl-5,11-dimethyl-3,7,12-trioxo-9-(3-pyridinylmethyl)-1,4-dioxa-8-azacyclododecan-6-yl]-2-pyridincarboxamid [German] [ACD/IUPAC Name]
3-Hydroxy-N-[(2R,5R,6S,9S,10S,11R)-10-hydroxy-2-isopropyl-5,11-dimethyl-3,7,12-trioxo-9-(3-pyridinylmethyl)-1,4-dioxa-8-azacyclododecan-6-yl]-2-pyridinecarboxamide [ACD/IUPAC Name]
3-Hydroxy-N-[(2R,5R,6S,9S,10S,11R)-10-hydroxy-2-isopropyl-5,11-diméthyl-3,7,12-trioxo-9-(3-pyridinylméthyl)-1,4-dioxa-8-azacyclododécan-6-yl]-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
3-Hydroxy-N-[(2r,5r,6s,9s,10s,11r)-10-Hydroxy-5,11-Dimethyl-3,7,12-Trioxo-2-(Propan-2-Yl)-9-(Pyridin-3-Ylmethyl)-1,4-Dioxa-8-Azacyclododecan-6-Yl]pyridine-2-Carboxamide
1416772-43-4 [RN]
3-hydroxy-N-[(2R,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-2-(propan-2-yl)-9-[(pyridin-3-yl)methyl]-1,4-dioxa-8-azacyclododecan-6-yl]pyridine-2-carboxamide
I4I

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

Density: 1.4±0.1 g/cm3
Boiling Point: 926.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.2±3.0 kJ/mol
Flash Point: 514.4±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 133.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.68
ACD/LogD (pH 5.5): -0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.02
ACD/LogD (pH 7.4): -1.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 66.9±5.0 dyne/cm
Molar Volume: 390.2±5.0 cm3

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