ChemSpider 2D Image | (3R)-Hexahydrofuro[2,3-b]furan-3-yl hydrogen [(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-butanyl]carbonimidate | C33H41N3O10S2

(3R)-Hexahydrofuro[2,3-b]furan-3-yl hydrogen [(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-butanyl]carbonimidate

  • Molecular FormulaC33H41N3O10S2
  • Average mass703.823 Da
  • Monoisotopic mass703.223328 Da
  • ChemSpider ID57642199

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(3R)-Hexahydrofuro[2,3-b]furan-3-yl hydrogen [(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-butanyl]carbonimidate [ACD/IUPAC Name]
(3R)-Hexahydrofuro[2,3-b]furan-3-yl-hydrogen[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-butanyl]kohlenstoffimidat [German] [ACD/IUPAC Name]
1,3-Benzodioxole-5-sulfonamide, N-[(2R,3S)-3-[[[[(3R)-hexahydrofuro[2,3-b]furan-3-yl]oxy]hydroxymethylene]amino]-2-hydroxy-4-[4-[(2-methyl-4-thiazolyl)methoxy]phenyl]butyl]-N-(2-methylpropyl)- [ACD/Index Name]
Hydrogéno[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-{4-[(2-méthyl-1,3-thiazol-4-yl)méthoxy]phényl}-2-butanyl]carbonimidate de (3R)-hexahydrofuro[2,3-b]furan-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 852.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.9±3.0 kJ/mol
Flash Point: 469.6±37.1 °C
Index of Refraction: 1.661
Molar Refractivity: 176.5±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 198.71
ACD/KOC (pH 5.5): 872.78
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 63.69
ACD/KOC (pH 7.4): 279.76
Polar Surface Area: 195 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 477.3±7.0 cm3

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