Found 17 results

Search term: MF = 'C_{29}H_{38}N_{2}O_{9}S'
ChemSpider 2D Image | (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{(cyclohexyloxy)[(4-hydroxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate | C29H38N2O9S

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{(cyclohexyloxy)[(4-hydroxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC29H38N2O9S
  • Average mass590.685 Da
  • Monoisotopic mass590.229797 Da
  • ChemSpider ID4881893

  • 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)-4-{(cyclohexyloxy)[(4-hydroxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{(cyclohexyloxy)[(4-hydroxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-[(2S,3R)-4-{(cyclohexyloxy)[(4-hydroxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-4-{(Cyclohexyloxy)[(4-hydroxyphényl)sulfonyl]amino}-3-hydroxy-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-[(cyclohexyloxy)[(4-hydroxyphenyl)sulfonyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester [ACD/Index Name]
{(1S,2R)-1-Benzyl-3-[cyclohexyloxy-(4-hydroxy-benzenesulfonyl)-amino]-2-hydroxy-propyl}-carbamic acid (3R,3aS,6aR)-(hexahydro-furo[2,3-b]furan-3-yl) ester
Carbamic acid, [(1S,2R)-3-[(cyclohexyloxy)[(4-hydroxyphenyl)sulfonyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL361082/
N-alkoxysulfonamide analog 21

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

AIDS314024 [DBID]
AIDS-314024 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.633
Molar Refractivity: 150.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 517.88
ACD/KOC (pH 5.5): 3022.93
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 147.61
ACD/KOC (pH 7.4): 861.62
Polar Surface Area: 152 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 68.2±5.0 dyne/cm
Molar Volume: 421.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement