ChemSpider 2D Image | DIG NHS | C35H50N2O10

DIG NHS

  • Molecular FormulaC35H50N2O10
  • Average mass658.779 Da
  • Monoisotopic mass658.346558 Da
  • ChemSpider ID17344741
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(3β,5β,12β)-3-(2-((6-((2,5-Dioxo-1-pyrrolidinyl)oxy)-6-oxohexyl)amino)-2-oxoethoxy)-12,14-dihydroxycard-20(22)-enolide
(3β,5β,12β)-3-[2-({6-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}amino)-2-oxoethoxy]-12,14-dihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,12β)-3-[2-({6-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}amino)-2-oxoethoxy]-12,14-dihydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,12β)-3-[2-({6-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl}amino)-2-oxoéthoxy]-12,14-dihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
129273-26-3 [RN]
Card-20(22)-enolide, 3-(2-((6-((2,5-dioxo-1-pyrrolidinyl)oxy)-6-oxohexyl)amino)-2-oxoethoxy)-12,14-dihydroxy-, (3β,5β,12β)-
Card-20(22)-enolide, 3-[2-[[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]amino]-2-oxoethoxy]-12,14-dihydroxy-, (3β,5β,12β)- [ACD/Index Name]
DIG NHS
dig-nhs-ester
Digoxigenin NHS-ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

55865_FLUKA [DBID]

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: 1.594
Molar Refractivity: 167.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -0.25
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.70
ACD/KOC (pH 5.5): 88.80
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.70
ACD/KOC (pH 7.4): 88.80
Polar Surface Area: 169 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 62.5±5.0 dyne/cm
Molar Volume: 494.8±5.0 cm3

Click to predict properties on the Chemicalize site






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