ChemSpider 2D Image | (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[(7Z)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]-1-phenyl-2-butanyl}carbamate | C32H42N2O9S

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[(7Z)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]-1-phenyl-2-butanyl}carbamate

  • Molecular FormulaC32H42N2O9S
  • Average mass630.749 Da
  • Monoisotopic mass630.261108 Da
  • ChemSpider ID24634902

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[(7Z)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]-1-phenyl-2-butanyl}carbamate [ACD/IUPAC Name]
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-{(2S,3R)-3-hydroxy-4-[(7Z)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]-1-phenyl-2-butanyl}carbamat [German] [ACD/IUPAC Name]
{(2S,3R)-3-Hydroxy-4-[(7Z)-13-méthoxy-1,1-dioxydo-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridécin-2-yl]-1-phényl-2-butanyl}carbamate de (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[(7Z)-3,4,5,6,9,10-hexahydro-13-methoxy-1,1-dioxido-2H-11,1,2-benzoxathiaazacyclotridecin-2-yl]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3 -yl ester [ACD/Index Name]
cyclic compound, 14c
cyclic compound, 14c-Z
GRL-216

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.616
Molar Refractivity: 164.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 1504.10
ACD/KOC (pH 5.5): 6544.74
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 1503.90
ACD/KOC (pH 7.4): 6543.89
Polar Surface Area: 141 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 470.6±5.0 cm3

Click to predict properties on the Chemicalize site


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