ChemSpider 2D Image | 2,5-Dioxo-1-{[6-({5-[(4R)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoyl]oxy}-3-pyrrolidinesulfonic acid | C20H30N4O9S2

2,5-Dioxo-1-{[6-({5-[(4R)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoyl]oxy}-3-pyrrolidinesulfonic acid

  • Molecular FormulaC20H30N4O9S2
  • Average mass534.604 Da
  • Monoisotopic mass534.145447 Da
  • ChemSpider ID34978380
  • defined stereocentres - 2 of 4 defined stereocentres


More details:






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

2,5-Dioxo-1-{[6-({5-[(4R)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoyl]oxy}-3-pyrrolidinesulfonic acid [ACD/IUPAC Name]
2,5-Dioxo-1-{[6-({5-[(4R)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoyl]oxy}-3-pyrrolidinsulfonsäure [German] [ACD/IUPAC Name]
3-Pyrrolidinesulfonic acid, 1-[[6-[[5-[(4R)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]oxy]-2,5-dioxo- [ACD/Index Name]
Acide 2,5-dioxo-1-{[6-({5-[(4R)-2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoyl]oxy}-3-pyrrolidinesulfonique [French] [ACD/IUPAC Name]
127062-22-0 [RN]
Sulpho LC biotin
Sulphosuccinimidyl-6-(biotinamido)hexanoate

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.620
Molar Refractivity: 124.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: -3.68
ACD/LogD (pH 5.5): -5.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 222 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 75.7±5.0 dyne/cm
Molar Volume: 353.0±5.0 cm3

Click to predict properties on the Chemicalize site






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