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Search term: HNEIRZJZTYYDES-VPZBFSRCSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3r,3as,6ar)-Hexahydrofuro[2,3-B]furan-3-Yl(2s,3r)-3-Hydroxy-4-(N-Isobutylbenzo[d][1,3]dioxole-5-Sulfonamido)-1-Phenylbutan-2-Ylcarbamate | C28H36N2O9S

(3r,3as,6ar)-Hexahydrofuro[2,3-B]furan-3-Yl(2s,3r)-3-Hydroxy-4-(N-Isobutylbenzo[d][1,3]dioxole-5-Sulfonamido)-1-Phenylbutan-2-Ylcarbamate

  • Molecular FormulaC28H36N2O9S
  • Average mass576.658 Da
  • Monoisotopic mass576.214172 Da
  • ChemSpider ID402596

  • 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-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-phenyl-2-butanyl}carbamate [ACD/IUPAC Name]
(3r,3as,6ar)-Hexahydrofuro[2,3-B]furan-3-Yl(2s,3r)-3-Hydroxy-4-(N-Isobutylbenzo[d][1,3]dioxole-5-Sulfonamido)-1-Phenylbutan-2-Ylcarbamate
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-{(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(isobutyl)amino]-3-hydroxy-1-phenyl-2-butanyl}carbamat [German] [ACD/IUPAC Name]
{(2S,3R)-4-[(1,3-Benzodioxol-5-ylsulfonyl)(isobutyl)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-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester [ACD/Index Name]
(3R,3aS,6aR)-tetrahydro-2H-furo[2,3-b]furan-3-yl (2S,3R)-3-hydroxy-4-(N-isobutylbenzo[d][1,3]dioxole-5-sulfonamido)-1-phenylbutan-2-ylcarbamate
[(1R,5S,6R)-2,8-dioxabicyclo[3.3.0]oct-6-yl]N-[(2S,3R)-4-[(3,4-methylenedioxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenyl-butan-2-yl] carbamate
{(1S,2R)-3-[(Benzo[1,3]dioxole-5-sulfonyl)-isobutyl-amino]-1-benzyl-2-hydroxy-propyl}-carbamic acid (3R,3aS,6aR)-(hexahydro-furo[2,3-b]furan-3-yl) ester
Carbamic acid, [(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

065 [DBID]
AIDS010829 [DBID]
AIDS-010829 [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: 1.624
Molar Refractivity: 146.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 881.99
ACD/KOC (pH 5.5): 4466.44
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 881.86
ACD/KOC (pH 7.4): 4465.83
Polar Surface Area: 141 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 413.7±5.0 cm3

Click to predict properties on the Chemicalize site


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