ChemSpider 2D Image | 1-({5-[(3aS,4S,6aS)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy)-2,5-pyrrolidinedione | C14H19N3O5S

1-({5-[(3aS,4S,6aS)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy)-2,5-pyrrolidinedione

  • Molecular FormulaC14H19N3O5S
  • Average mass341.383 Da
  • Monoisotopic mass341.104553 Da
  • ChemSpider ID29577191

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-({5-[(3aS,4S,6aS)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy)-2,5-pyrrolidindion [German] [ACD/IUPAC Name]
1-({5-[(3aS,4S,6aS)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy)-2,5-pyrrolidinedione [ACD/IUPAC Name]
1-({5-[(3aS,4S,6aS)-2-Oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentanoyl}oxy)-2,5-pyrrolidinedione [French] [ACD/IUPAC Name]
2,5-Pyrrolidinedione, 1-[[5-[(3aS,4S,6aS)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]oxy]- [ACD/Index Name]
2,5-Dioxopyrrolidin-1-yl 5-((3aS,4S,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate
2,5-Pyrrolidinedione,1-[[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]oxy]-,[3aS-(3aa,4b,6aa)]-
35013-72-0 [RN]

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

CCRIS 4693 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.616
Molar Refractivity: 82.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.41
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.62
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.62
Polar Surface Area: 130 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 234.9±5.0 cm3

Click to predict properties on the Chemicalize site


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