ChemSpider 2D Image | (2R)-3-({(2S)-1-[(2S,3aR,5S,6S,7aS)-2-({2-[1-(Diaminomethylene)-2,5-dihydro-1H-pyrrolium-3-yl]ethyl}carbamoyl)-5,6-dihydroxyoctahydro-1H-indol-1-yl]-3-methyl-1-oxo-2-butanyl}amino)-2-methoxy-3-oxoprop
yl sulfate | C25H42N6O10S

(2R)-3-({(2S)-1-[(2S,3aR,5S,6S,7aS)-2-({2-[1-(Diaminomethylene)-2,5-dihydro-1H-pyrrolium-3-yl]ethyl}carbamoyl)-5,6-dihydroxyoctahydro-1H-indol-1-yl]-3-methyl-1-oxo-2-butanyl}amino)-2-methoxy-3-oxoprop yl sulfate

  • Molecular FormulaC25H42N6O10S
  • Average mass618.700 Da
  • Monoisotopic mass618.268311 Da
  • ChemSpider ID9448567
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(2R)-3-({(2S)-1-[(2S,3aR,5S,6S,7aS)-2-({2-[1-(Diaminomethylen)-2,5-dihydro-1H-pyrrolium-3-yl]ethyl}carbamoyl)-5,6-dihydroxyoctahydro-1H-indol-1-yl]-3-methyl-1-oxo-2-butanyl}amino)-2-methoxy-3-oxopropy lsulfat [German] [ACD/IUPAC Name]
(2R)-3-({(2S)-1-[(2S,3aR,5S,6S,7aS)-2-({2-[1-(Diaminomethylene)-2,5-dihydro-1H-pyrrolium-3-yl]ethyl}carbamoyl)-5,6-dihydroxyoctahydro-1H-indol-1-yl]-3-methyl-1-oxo-2-butanyl}amino)-2-methoxy-3-oxoprop yl sulfate [ACD/IUPAC Name]
Sulfate de (2R)-3-({(2S)-1-[(2S,3aR,5S,6S,7aS)-2-({2-[1-(diaminométhylène)-2,5-dihydro-1H-pyrrolium-3-yl]éthyl}carbamoyl)-5,6-dihydroxyoctahydro-1H-indol-1-yl]-3-méthyl-1-oxo-2-butanyl}amino)-2-méthox y-3-oxopropyle [French] [ACD/IUPAC Name]

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

Density:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 258 Å2
Polarizability:
Surface Tension:
Molar Volume:

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